2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile

C12H6ClF2N3 — CID 83072936

IUPAC2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H6ClF2N3/c13-11-3-7(6-16)4-12(18-11)17-8-1-2-9(14)10(15)5-8/h1-5H,(H,17,18)
InChIKeyTXNABMBJJDLRAD-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.63
Rot. Bonds2

About 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile

2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile (PubChem CID 83072936) has the molecular formula C12H6ClF2N3 and a molecular weight of 265.65 g/mol. Its IUPAC name is 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
PubChem CID83072936
Molecular FormulaC12H6ClF2N3
Molecular Weight265.65 g/mol
Exact Mass265.02
IUPAC Name2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H6ClF2N3/c13-11-3-7(6-16)4-12(18-11)17-8-1-2-9(14)10(15)5-8/h1-5H,(H,17,18)
InChIKeyTXNABMBJJDLRAD-UHFFFAOYSA-N
XLogP3.63
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 53.63
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

2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
5-[(6-chloro-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 63587476
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
4-[[4-(3,4-difluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932339
2-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 83077583
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
3-[[4-(3,4-difluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932328
2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile
CID 83077186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile (CID 83072936) is 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile?
The InChIKey is TXNABMBJJDLRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3/c13-11-3-7(6-16)4-12(18-11)17-8-1-2-9(14)10(15)5-8/h1-5H,(H,17,18).
What are the key properties of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile?
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile has a molecular weight of 265.65 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 83072936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).