5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile

C12H7Cl2N3 — CID 69074354

IUPAC5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C12H7Cl2N3/c13-9-1-3-10(4-2-9)17-12-11(14)5-8(6-15)7-16-12/h1-5,7H,(H,16,17)
InChIKeyQCJPSJJIXGTTQG-UHFFFAOYSA-N
MW264.12 g/mol
LogP4.00
Rot. Bonds2

About 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile

5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile (PubChem CID 69074354) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
PubChem CID69074354
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C12H7Cl2N3/c13-9-1-3-10(4-2-9)17-12-11(14)5-8(6-15)7-16-12/h1-5,7H,(H,16,17)
InChIKeyQCJPSJJIXGTTQG-UHFFFAOYSA-N
XLogP4.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol
CID 69074362
5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 58554205
5-chloro-6-[2-(1H-pyrrol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 84598906
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile
CID 84605251
5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile
CID 103468392
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
3-(4-chloroanilino)-5-fluorobenzonitrile
CID 102815066
4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112860045
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
CID 79727692

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile (CID 69074354) is 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile is N#Cc1cnc(Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile?
The InChIKey is QCJPSJJIXGTTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-9-1-3-10(4-2-9)17-12-11(14)5-8(6-15)7-16-12/h1-5,7H,(H,16,17).
What are the key properties of 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile?
5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile has a molecular weight of 264.12 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 69074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).