3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile

C13H8ClF2N3 — CID 107058219

IUPAC3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(F)c(Nc2nccc(C#N)c2Cl)c1F
InChIInChI=1S/C13H8ClF2N3/c1-7-2-3-9(15)12(11(7)16)19-13-10(14)8(6-17)4-5-18-13/h2-5H,1H3,(H,18,19)
InChIKeyLOBDTHDIXLCLBQ-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.94
Rot. Bonds2

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

3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile (PubChem CID 107058219) has the molecular formula C13H8ClF2N3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
PubChem CID107058219
Molecular FormulaC13H8ClF2N3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(F)c(Nc2nccc(C#N)c2Cl)c1F
InChIInChI=1S/C13H8ClF2N3/c1-7-2-3-9(15)12(11(7)16)19-13-10(14)8(6-17)4-5-18-13/h2-5H,1H3,(H,18,19)
InChIKeyLOBDTHDIXLCLBQ-UHFFFAOYSA-N
XLogP3.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107057585
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
CID 107056671
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
2-(2-bromo-4-methylanilino)-3-chloropyridine-4-carbonitrile
CID 107056680
3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 114260120
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
CID 107056883
2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82816630
3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
CID 107056789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile (CID 107058219) is 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile is Cc1ccc(F)c(Nc2nccc(C#N)c2Cl)c1F.
What is the InChIKey of 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile?
The InChIKey is LOBDTHDIXLCLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3/c1-7-2-3-9(15)12(11(7)16)19-13-10(14)8(6-17)4-5-18-13/h2-5H,1H3,(H,18,19).
What are the key properties of 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile?
3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile has a molecular weight of 279.68 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107058219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).