(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol

C13H11ClFNO2 — CID 105120947

IUPAC(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccncc2Cl)c1F
InChIInChI=1S/C13H11ClFNO2/c1-18-11-4-2-3-9(12(11)15)13(17)8-5-6-16-7-10(8)14/h2-7,13,17H,1H3
InChIKeyAQUYHDNWHSMGDQ-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.96
Rot. Bonds3

About (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol

(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 105120947) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID105120947
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccncc2Cl)c1F
InChIInChI=1S/C13H11ClFNO2/c1-18-11-4-2-3-9(12(11)15)13(17)8-5-6-16-7-10(8)14/h2-7,13,17H,1H3
InChIKeyAQUYHDNWHSMGDQ-UHFFFAOYSA-N
XLogP2.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807289
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
CID 105095989
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
[(3-chloro-4-pyridinyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285750
[(2-fluoro-3-methoxyphenyl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261827
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
(3-chloro-4-pyridinyl)-quinolin-8-ylmethanol
CID 105118816

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol (CID 105120947) is (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2ccncc2Cl)c1F.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is AQUYHDNWHSMGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-18-11-4-2-3-9(12(11)15)13(17)8-5-6-16-7-10(8)14/h2-7,13,17H,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol?
(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 267.69 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 105120947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).