2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide

C11H13FN2O2S — CID 111597214

IUPAC2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1ccnc(F)c1
InChIInChI=1S/C11H13FN2O2S/c12-9-5-8(1-3-13-9)10(15)14-6-11(16)2-4-17-7-11/h1,3,5,16H,2,4,6-7H2,(H,14,15)
InChIKeyHGAQOLIGNRZZLB-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.82
Rot. Bonds3

About 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide

2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 111597214) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
PubChem CID111597214
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC Name2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1ccnc(F)c1
InChIInChI=1S/C11H13FN2O2S/c12-9-5-8(1-3-13-9)10(15)14-6-11(16)2-4-17-7-11/h1,3,5,16H,2,4,6-7H2,(H,14,15)
InChIKeyHGAQOLIGNRZZLB-UHFFFAOYSA-N
XLogP0.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 111596850
1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114037106
N-[(3-hydroxythiolan-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 111698305
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
3-bromo-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111596827
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
N-[(3-hydroxythiolan-3-yl)methyl]-5-methylpyridine-3-carboxamide
CID 111596832
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]-3-methylbenzamide
CID 111484729
3-bromo-4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484646
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970532

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide (CID 111597214) is 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide is O=C(NCC1(O)CCSC1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is HGAQOLIGNRZZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c12-9-5-8(1-3-13-9)10(15)14-6-11(16)2-4-17-7-11/h1,3,5,16H,2,4,6-7H2,(H,14,15).
What are the key properties of 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide?
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 111597214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).