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

C13H11FN2O2 — CID 113241006

IUPAC3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c14-12-8-15-6-5-11(12)13(18)16-7-9-1-3-10(17)4-2-9/h1-6,8,17H,7H2,(H,16,18)
InChIKeySJRPWCPVBJJUDX-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.86
Rot. Bonds3

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

3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 113241006) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID113241006
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c14-12-8-15-6-5-11(12)13(18)16-7-9-1-3-10(17)4-2-9/h1-6,8,17H,7H2,(H,16,18)
InChIKeySJRPWCPVBJJUDX-UHFFFAOYSA-N
XLogP1.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(E)-4-chlorobut-2-enyl]-3-fluoropyridine-4-carboxamide
CID 81429360
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
N-[(3-carbamothioylphenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949696
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide (CID 113241006) is 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc(O)cc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is SJRPWCPVBJJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-12-8-15-6-5-11(12)13(18)16-7-9-1-3-10(17)4-2-9/h1-6,8,17H,7H2,(H,16,18).
What are the key properties of 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide?
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113241006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).