5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid

C18H11ClF2N2O2 — CID 24989026

IUPAC5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C18H11ClF2N2O2/c19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H,24,25)
InChIKeySDPBFKBYZUOGDA-UHFFFAOYSA-N
MW360.75 g/mol
LogP5.12
Rot. Bonds4

About 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid

5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid (PubChem CID 24989026) has the molecular formula C18H11ClF2N2O2 and a molecular weight of 360.75 g/mol. Its IUPAC name is 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid
PubChem CID24989026
Molecular FormulaC18H11ClF2N2O2
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC Name5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C18H11ClF2N2O2/c19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H,24,25)
InChIKeySDPBFKBYZUOGDA-UHFFFAOYSA-N
XLogP5.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.75
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid (CID 24989026) is 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid is O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid?
The InChIKey is SDPBFKBYZUOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O2/c19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid?
5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid has a molecular weight of 360.75 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 24989026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).