2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid

C19H13ClF2N2O2 — CID 24989028

IUPAC2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F
InChIInChI=1S/C19H13ClF2N2O2/c1-10-13(11-5-2-3-7-14(11)20)9-15(21)17(16(10)22)24-18-12(19(25)26)6-4-8-23-18/h2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyYGWJPXJALBJJAN-UHFFFAOYSA-N
MW374.77 g/mol
LogP5.43
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid

2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid (PubChem CID 24989028) has the molecular formula C19H13ClF2N2O2 and a molecular weight of 374.77 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid
PubChem CID24989028
Molecular FormulaC19H13ClF2N2O2
Molecular Weight374.77 g/mol
Exact Mass374.06
IUPAC Name2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F
InChIInChI=1S/C19H13ClF2N2O2/c1-10-13(11-5-2-3-7-14(11)20)9-15(21)17(16(10)22)24-18-12(19(25)26)6-4-8-23-18/h2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyYGWJPXJALBJJAN-UHFFFAOYSA-N
XLogP5.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.77
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid (CID 24989028) is 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid is Cc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid?
The InChIKey is YGWJPXJALBJJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O2/c1-10-13(11-5-2-3-7-14(11)20)9-15(21)17(16(10)22)24-18-12(19(25)26)6-4-8-23-18/h2-9H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid?
2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid has a molecular weight of 374.77 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24989028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).