N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide

C13H11FN2O2 — CID 145277757

IUPACN-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide
SMILESO=CNCc1ccc(-c2ccc(O)c(F)c2)nc1
InChIInChI=1S/C13H11FN2O2/c14-11-5-10(2-4-13(11)18)12-3-1-9(7-16-12)6-15-8-17/h1-5,7-8,18H,6H2,(H,15,17)
InChIKeyOENGFXHSTKXYNO-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.84
Rot. Bonds4

About N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide

N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide (PubChem CID 145277757) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide
PubChem CID145277757
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide
SMILESO=CNCc1ccc(-c2ccc(O)c(F)c2)nc1
InChIInChI=1S/C13H11FN2O2/c14-11-5-10(2-4-13(11)18)12-3-1-9(7-16-12)6-15-8-17/h1-5,7-8,18H,6H2,(H,15,17)
InChIKeyOENGFXHSTKXYNO-UHFFFAOYSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 166957498
1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 175646876
7-[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]heptan-2-yl 2-methoxyacetate
CID 139651986
2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol
CID 135736656
N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide
CID 170584451
[6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol
CID 172877745
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]formamide
CID 122489027
2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine
CID 90193053
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide?
The IUPAC name of N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide (CID 145277757) is N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide is O=CNCc1ccc(-c2ccc(O)c(F)c2)nc1.
What is the InChIKey of N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide?
The InChIKey is OENGFXHSTKXYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-5-10(2-4-13(11)18)12-3-1-9(7-16-12)6-15-8-17/h1-5,7-8,18H,6H2,(H,15,17).
What are the key properties of N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide?
N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide has a molecular weight of 246.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide is sourced from PubChem (CID 145277757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).