5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile

C12H8ClFN4 — CID 54860679

IUPAC5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H8ClFN4/c13-10-4-8(14)1-2-11(10)18-12-7(5-15)3-9(16)6-17-12/h1-4,6H,16H2,(H,17,18)
InChIKeySBIKDHMFZSNEBK-UHFFFAOYSA-N
MW262.68 g/mol
LogP3.07
Rot. Bonds2

About 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile

5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile (PubChem CID 54860679) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
PubChem CID54860679
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H8ClFN4/c13-10-4-8(14)1-2-11(10)18-12-7(5-15)3-9(16)6-17-12/h1-4,6H,16H2,(H,17,18)
InChIKeySBIKDHMFZSNEBK-UHFFFAOYSA-N
XLogP3.07
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile (CID 54860679) is 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Nc1ccc(F)cc1Cl.
What is the InChIKey of 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
The InChIKey is SBIKDHMFZSNEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-10-4-8(14)1-2-11(10)18-12-7(5-15)3-9(16)6-17-12/h1-4,6H,16H2,(H,17,18).
What are the key properties of 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile has a molecular weight of 262.68 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54860679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).