2-amino-6-phenyl, 3-quinolinecarbonitrile

2-amino-6-phenyl, 3-quinolinecarbonitrile
Compound Structure:
Synonyms: 2-amino-6-bromo-3-quinolinecarbonitrile;2-amino-6-bromoquinoline-3-carbonitrile;951221-67-3;SCHEMBL789748;BNB22167;MFCD12922674
Compound ID: NMPC-218
PubChem ID:

45588278
Molecular Formula: C10H6BrN3
Canonical SMILES: C1=CC2=NC(=C(C=C2C=C1Br)C#N)N
InChIKey: OZZJKVKTCKKFHA-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

248.08 g/mol

XLogP3-AA

2.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

0

Exact Mass

246.97451 g/mol

Monoisotopic Mass

246.97451 g/mol

Topological Polar Surface Area

62.7Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

259

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Millettia aboensis
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