3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile

C13H9ClFN3 — CID 107057585

IUPAC3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
SMILESCc1cc(Nc2nccc(C#N)c2Cl)ccc1F
InChIInChI=1S/C13H9ClFN3/c1-8-6-10(2-3-11(8)15)18-13-12(14)9(7-16)4-5-17-13/h2-6H,1H3,(H,17,18)
InChIKeyYYDLIPSFAFDSHQ-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.80
Rot. Bonds2

About 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile

3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile (PubChem CID 107057585) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
PubChem CID107057585
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
SMILESCc1cc(Nc2nccc(C#N)c2Cl)ccc1F
InChIInChI=1S/C13H9ClFN3/c1-8-6-10(2-3-11(8)15)18-13-12(14)9(7-16)4-5-17-13/h2-6H,1H3,(H,17,18)
InChIKeyYYDLIPSFAFDSHQ-UHFFFAOYSA-N
XLogP3.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107058219
3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
CID 107056883
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
2-chloro-5-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056312
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
3-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 107056708
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
2-(2-bromo-4-methylanilino)-3-chloropyridine-4-carbonitrile
CID 107056680
3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
CID 107057605
3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 114260120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile (CID 107057585) is 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile is Cc1cc(Nc2nccc(C#N)c2Cl)ccc1F.
What is the InChIKey of 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile?
The InChIKey is YYDLIPSFAFDSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c1-8-6-10(2-3-11(8)15)18-13-12(14)9(7-16)4-5-17-13/h2-6H,1H3,(H,17,18).
What are the key properties of 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile?
3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile has a molecular weight of 261.69 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107057585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).