(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol

C13H11BrFNO2 — CID 114053617

IUPAC(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrFNO2/c1-18-11-3-2-6-16-12(11)13(17)8-4-5-10(15)9(14)7-8/h2-7,13,17H,1H3
InChIKeyMVNJRMVSLPOCHK-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.07
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol

(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol (PubChem CID 114053617) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol
PubChem CID114053617
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrFNO2/c1-18-11-3-2-6-16-12(11)13(17)8-4-5-10(15)9(14)7-8/h2-7,13,17H,1H3
InChIKeyMVNJRMVSLPOCHK-UHFFFAOYSA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054024
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol (CID 114053617) is (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol is COc1cccnc1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol?
The InChIKey is MVNJRMVSLPOCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-18-11-3-2-6-16-12(11)13(17)8-4-5-10(15)9(14)7-8/h2-7,13,17H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol?
(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol has a molecular weight of 312.14 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 114053617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).