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

C18H11ClF2N2O2 — CID 24988661

IUPAC2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C18H11ClF2N2O2/c19-13-6-2-1-4-11(13)10-8-14(20)16(15(21)9-10)23-17-12(18(24)25)5-3-7-22-17/h1-9H,(H,22,23)(H,24,25)
InChIKeyCHZAYPJKCNYCLQ-UHFFFAOYSA-N
MW360.75 g/mol
LogP5.12
Rot. Bonds4

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

2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (PubChem CID 24988661) has the molecular formula C18H11ClF2N2O2 and a molecular weight of 360.75 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
PubChem CID24988661
Molecular FormulaC18H11ClF2N2O2
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC Name2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C18H11ClF2N2O2/c19-13-6-2-1-4-11(13)10-8-14(20)16(15(21)9-10)23-17-12(18(24)25)5-3-7-22-17/h1-9H,(H,22,23)(H,24,25)
InChIKeyCHZAYPJKCNYCLQ-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 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (CID 24988661) is 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The InChIKey is CHZAYPJKCNYCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O2/c19-13-6-2-1-4-11(13)10-8-14(20)16(15(21)9-10)23-17-12(18(24)25)5-3-7-22-17/h1-9H,(H,22,23)(H,24,25).
What are the key properties of 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
2-[4-(2-chlorophenyl)-2,6-difluoroanilino]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 2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).