2-amino-3-bromoazulene-1-carbonitrile

C11H7BrN2 — CID 101482931

IUPAC2-amino-3-bromoazulene-1-carbonitrile
SMILESN#Cc1c2cccccc-2c(Br)c1N
InChIInChI=1S/C11H7BrN2/c12-10-8-5-3-1-2-4-7(8)9(6-13)11(10)14/h1-5H,14H2
InChIKeyNYHOHJVXLXDEQF-UHFFFAOYSA-N
MW247.10 g/mol
LogP3.01
Rot. Bonds

About 2-amino-3-bromoazulene-1-carbonitrile

2-amino-3-bromoazulene-1-carbonitrile (PubChem CID 101482931) has the molecular formula C11H7BrN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 2-amino-3-bromoazulene-1-carbonitrile.

Molecular Properties

Compound Name2-amino-3-bromoazulene-1-carbonitrile
PubChem CID101482931
Molecular FormulaC11H7BrN2
Molecular Weight247.10 g/mol
Exact Mass245.98
IUPAC Name2-amino-3-bromoazulene-1-carbonitrile
SMILESN#Cc1c2cccccc-2c(Br)c1N
InChIInChI=1S/C11H7BrN2/c12-10-8-5-3-1-2-4-7(8)9(6-13)11(10)14/h1-5H,14H2
InChIKeyNYHOHJVXLXDEQF-UHFFFAOYSA-N
XLogP3.01
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121374097
2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile
CID 58954300
2,3-diamino-6-(2-methoxyphenyl)benzonitrile
CID 25241803
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
10-bromoanthracene-9-carbonitrile
CID 11543731
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
2-amino-3-[4-amino-3-(aminomethyl)-2-bromophenyl]-6-bromobenzonitrile
CID 171497313
2-amino-6-(2-methylphenyl)benzonitrile
CID 175804845
2-amino-3-formyl-4,6-diphenylbenzonitrile
CID 101458211
2-bromo-3-phenylbenzonitrile
CID 141263565

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromoazulene-1-carbonitrile?
The IUPAC name of 2-amino-3-bromoazulene-1-carbonitrile (CID 101482931) is 2-amino-3-bromoazulene-1-carbonitrile.
What is the SMILES notation for 2-amino-3-bromoazulene-1-carbonitrile?
The canonical SMILES for 2-amino-3-bromoazulene-1-carbonitrile is N#Cc1c2cccccc-2c(Br)c1N.
What is the InChIKey of 2-amino-3-bromoazulene-1-carbonitrile?
The InChIKey is NYHOHJVXLXDEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-10-8-5-3-1-2-4-7(8)9(6-13)11(10)14/h1-5H,14H2.
What are the key properties of 2-amino-3-bromoazulene-1-carbonitrile?
2-amino-3-bromoazulene-1-carbonitrile has a molecular weight of 247.10 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromoazulene-1-carbonitrile is sourced from PubChem (CID 101482931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).