4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile

C12H7BrClN3 — CID 107809610

IUPAC4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(Br)n2)c(Cl)c1
InChIInChI=1S/C12H7BrClN3/c13-11-2-1-3-12(17-11)16-10-5-4-8(7-15)6-9(10)14/h1-6H,(H,16,17)
InChIKeyLDOASOCPKKHUCD-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.11
Rot. Bonds2

About 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile

4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile (PubChem CID 107809610) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile
PubChem CID107809610
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(Br)n2)c(Cl)c1
InChIInChI=1S/C12H7BrClN3/c13-11-2-1-3-12(17-11)16-10-5-4-8(7-15)6-9(10)14/h1-6H,(H,16,17)
InChIKeyLDOASOCPKKHUCD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(6-fluoro-2-pyridinyl)amino]benzonitrile
CID 107809583
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
3-chloro-4-[(2-chloropyrimidin-4-yl)amino]benzonitrile
CID 107809620
6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
CID 64596070
6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63962611
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003341
4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
CID 114002267
4-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003619
3-chloro-4-(3-chloroanilino)benzonitrile
CID 63510074
3-[(6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 55213185
3-chloro-4-[(7-chloro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107809136

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile?
The IUPAC name of 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile (CID 107809610) is 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile?
The canonical SMILES for 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile is N#Cc1ccc(Nc2cccc(Br)n2)c(Cl)c1.
What is the InChIKey of 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile?
The InChIKey is LDOASOCPKKHUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-11-2-1-3-12(17-11)16-10-5-4-8(7-15)6-9(10)14/h1-6H,(H,16,17).
What are the key properties of 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile?
4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile 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 4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile is sourced from PubChem (CID 107809610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).