2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide

C10H13FN2O2 — CID 130993762

IUPAC2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
SMILESCC(O)C(C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-6(7(2)14)13-10(15)8-3-4-12-9(11)5-8/h3-7,14H,1-2H3,(H,13,15)
InChIKeyWTDTXPGVOAIWLB-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.72
Rot. Bonds3

About 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide

2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide (PubChem CID 130993762) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
PubChem CID130993762
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
SMILESCC(O)C(C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-6(7(2)14)13-10(15)8-3-4-12-9(11)5-8/h3-7,14H,1-2H3,(H,13,15)
InChIKeyWTDTXPGVOAIWLB-UHFFFAOYSA-N
XLogP0.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 97256121
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
1-(2-fluoro-4-pyridinyl)-2-methylpropan-1-one
CID 89195096
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide
CID 144683850

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide (CID 130993762) is 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide is CC(O)C(C)NC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide?
The InChIKey is WTDTXPGVOAIWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(7(2)14)13-10(15)8-3-4-12-9(11)5-8/h3-7,14H,1-2H3,(H,13,15).
What are the key properties of 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide?
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide has a molecular weight of 212.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130993762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).