(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol

C12H12FNOS — CID 104737571

IUPAC(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2ccncc2F)c(C)s1
InChIInChI=1S/C12H12FNOS/c1-7-5-10(8(2)16-7)12(15)9-3-4-14-6-11(9)13/h3-6,12,15H,1-2H3
InChIKeyHSEMKRQBNSPZER-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.98
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol

(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 104737571) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID104737571
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2ccncc2F)c(C)s1
InChIInChI=1S/C12H12FNOS/c1-7-5-10(8(2)16-7)12(15)9-3-4-14-6-11(9)13/h3-6,12,15H,1-2H3
InChIKeyHSEMKRQBNSPZER-UHFFFAOYSA-N
XLogP2.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol 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

(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol
CID 105126834
(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
CID 104737555
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol
CID 115833942
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol
CID 104738089
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 81111173
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol (CID 104737571) is (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol is Cc1cc(C(O)c2ccncc2F)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is HSEMKRQBNSPZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7-5-10(8(2)16-7)12(15)9-3-4-14-6-11(9)13/h3-6,12,15H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol?
(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 237.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 104737571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).