(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol

C13H12FNO2 — CID 94605505

IUPAC(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
SMILESCOc1ccc([C@H](O)c2ccccn2)cc1F
InChIInChI=1S/C13H12FNO2/c1-17-12-6-5-9(8-10(12)14)13(16)11-4-2-3-7-15-11/h2-8,13,16H,1H3/t13-/m0/s1
InChIKeyCZVOARFVBCSBSK-ZDUSSCGKSA-N
MW233.24 g/mol
LogP2.31
Rot. Bonds3

About (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol

(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol (PubChem CID 94605505) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
PubChem CID94605505
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
SMILESCOc1ccc([C@H](O)c2ccccn2)cc1F
InChIInChI=1S/C13H12FNO2/c1-17-12-6-5-9(8-10(12)14)13(16)11-4-2-3-7-15-11/h2-8,13,16H,1H3/t13-/m0/s1
InChIKeyCZVOARFVBCSBSK-ZDUSSCGKSA-N
XLogP2.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate
CID 175928572
(R)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481789
(S)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481788
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 113472302
(3,5-difluorophenyl)-pyridin-2-ylmethanol
CID 62790290
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3,4-dimethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722260
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796

Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol?
The IUPAC name of (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol (CID 94605505) is (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol?
The canonical SMILES for (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol is COc1ccc([C@H](O)c2ccccn2)cc1F.
What is the InChIKey of (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol?
The InChIKey is CZVOARFVBCSBSK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-17-12-6-5-9(8-10(12)14)13(16)11-4-2-3-7-15-11/h2-8,13,16H,1H3/t13-/m0/s1.
What are the key properties of (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol?
(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol has a molecular weight of 233.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol is sourced from PubChem (CID 94605505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).