3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile

C12H7Cl2N3 — CID 107056789

IUPAC3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccccc2Cl)c1Cl
InChIInChI=1S/C12H7Cl2N3/c13-9-3-1-2-4-10(9)17-12-11(14)8(7-15)5-6-16-12/h1-6H,(H,16,17)
InChIKeyKVIVMSUDORRRSE-UHFFFAOYSA-N
MW264.12 g/mol
LogP4.00
Rot. Bonds2

About 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile

3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile (PubChem CID 107056789) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
PubChem CID107056789
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccccc2Cl)c1Cl
InChIInChI=1S/C12H7Cl2N3/c13-9-3-1-2-4-10(9)17-12-11(14)8(7-15)5-6-16-12/h1-6H,(H,16,17)
InChIKeyKVIVMSUDORRRSE-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

3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 114260120
3-chloro-4-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056434
3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
CID 107056883
2-(2-bromo-4-methylanilino)-3-chloropyridine-4-carbonitrile
CID 107056680
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
2-chloro-5-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056312
2-(2-chloroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869678
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
CID 107056671
3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107058219

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile (CID 107056789) is 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile?
The InChIKey is KVIVMSUDORRRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-9-3-1-2-4-10(9)17-12-11(14)8(7-15)5-6-16-12/h1-6H,(H,16,17).
What are the key properties of 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile?
3-chloro-2-(2-chloroanilino)pyridine-4-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 3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107056789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).