6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile

C12H7BrClN3 — CID 64596070

IUPAC6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H7BrClN3/c13-8-4-5-11(10(14)6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,(H,16,17)
InChIKeyVQJQMQOZBGRIKD-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.11
Rot. Bonds2

About 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile

6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile (PubChem CID 64596070) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
PubChem CID64596070
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H7BrClN3/c13-8-4-5-11(10(14)6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,(H,16,17)
InChIKeyVQJQMQOZBGRIKD-UHFFFAOYSA-N
XLogP4.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
CID 104727199
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107809610
3-bromo-4-[(6-cyano-2-pyridinyl)amino]benzoic acid
CID 64589353
6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
CID 82016345
6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666
3-chloro-4-[(6-fluoro-2-pyridinyl)amino]benzonitrile
CID 107809583
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile (CID 64596070) is 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile is N#Cc1cccc(Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile?
The InChIKey is VQJQMQOZBGRIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-8-4-5-11(10(14)6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,(H,16,17).
What are the key properties of 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile?
6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile has a molecular weight of 308.57 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 64596070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).