(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol

C11H9ClFNOS — CID 103407834

IUPAC(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESCc1csc(C(O)c2cncc(F)c2)c1Cl
InChIInChI=1S/C11H9ClFNOS/c1-6-5-16-11(9(6)12)10(15)7-2-8(13)4-14-3-7/h2-5,10,15H,1H3
InChIKeyOQJXCQIBYOHHLZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.33
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol

(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 103407834) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID103407834
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESCc1csc(C(O)c2cncc(F)c2)c1Cl
InChIInChI=1S/C11H9ClFNOS/c1-6-5-16-11(9(6)12)10(15)7-2-8(13)4-14-3-7/h2-5,10,15H,1H3
InChIKeyOQJXCQIBYOHHLZ-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 103405312
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
(3,4-dimethylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 63893392
(2,3-difluoro-4-methylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 107516186
(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 107124895
(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 103404237
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
CID 105080455
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
CID 114981130
(5-fluoro-3-pyridinyl)-(5-methylfuran-2-yl)methanol
CID 63894041
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol (CID 103407834) is (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol is Cc1csc(C(O)c2cncc(F)c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is OQJXCQIBYOHHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-6-5-16-11(9(6)12)10(15)7-2-8(13)4-14-3-7/h2-5,10,15H,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 257.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 103407834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).