5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide

C13H10F2N2O2 — CID 174469793

IUPAC5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1F)c1cncc(F)c1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-9(5-16-7-10)13(19)17-6-8-1-2-11(18)4-12(8)15/h1-5,7,18H,6H2,(H,17,19)
InChIKeyLYFNIHOILYHXPC-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.00
Rot. Bonds3

About 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide

5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 174469793) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID174469793
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1F)c1cncc(F)c1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-9(5-16-7-10)13(19)17-6-8-1-2-11(18)4-12(8)15/h1-5,7,18H,6H2,(H,17,19)
InChIKeyLYFNIHOILYHXPC-UHFFFAOYSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide (CID 174469793) is 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(O)cc1F)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is LYFNIHOILYHXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-3-9(5-16-7-10)13(19)17-6-8-1-2-11(18)4-12(8)15/h1-5,7,18H,6H2,(H,17,19).
What are the key properties of 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 264.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 174469793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).