(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol

C12H11FN2O2 — CID 62795072

IUPAC(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
SMILESCOc1ccc(C(O)c2ncccn2)cc1F
InChIInChI=1S/C12H11FN2O2/c1-17-10-4-3-8(7-9(10)13)11(16)12-14-5-2-6-15-12/h2-7,11,16H,1H3
InChIKeyNXLSPMYSCKSKHZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.71
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol

(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol (PubChem CID 62795072) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
PubChem CID62795072
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
SMILESCOc1ccc(C(O)c2ncccn2)cc1F
InChIInChI=1S/C12H11FN2O2/c1-17-10-4-3-8(7-9(10)13)11(16)12-14-5-2-6-15-12/h2-7,11,16H,1H3
InChIKeyNXLSPMYSCKSKHZ-UHFFFAOYSA-N
XLogP1.71
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
CID 94605505
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782148
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate
CID 175928572
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61082273

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol (CID 62795072) is (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol is COc1ccc(C(O)c2ncccn2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol?
The InChIKey is NXLSPMYSCKSKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-17-10-4-3-8(7-9(10)13)11(16)12-14-5-2-6-15-12/h2-7,11,16H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol?
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol has a molecular weight of 234.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol is sourced from PubChem (CID 62795072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).