2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid

C18H12F2N2O3 — CID 24987535

IUPAC2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(O)c2)cc1F
InChIInChI=1S/C18H12F2N2O3/c19-14-8-11(10-3-1-4-12(23)7-10)9-15(20)16(14)22-17-13(18(24)25)5-2-6-21-17/h1-9,23H,(H,21,22)(H,24,25)
InChIKeyPFGWVJVVYOPGHI-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.17
Rot. Bonds4

About 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid

2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid (PubChem CID 24987535) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid
PubChem CID24987535
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(O)c2)cc1F
InChIInChI=1S/C18H12F2N2O3/c19-14-8-11(10-3-1-4-12(23)7-10)9-15(20)16(14)22-17-13(18(24)25)5-2-6-21-17/h1-9,23H,(H,21,22)(H,24,25)
InChIKeyPFGWVJVVYOPGHI-UHFFFAOYSA-N
XLogP4.17
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid (CID 24987535) is 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(O)c2)cc1F.
What is the InChIKey of 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is PFGWVJVVYOPGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c19-14-8-11(10-3-1-4-12(23)7-10)9-15(20)16(14)22-17-13(18(24)25)5-2-6-21-17/h1-9,23H,(H,21,22)(H,24,25).
What are the key properties of 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid?
2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 342.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24987535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).