(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol

C13H10BrF2NO2 — CID 67383458

IUPAC(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1ccc(F)nc1F
InChIInChI=1S/C13H10BrF2NO2/c1-19-10-4-2-7(14)6-9(10)12(18)8-3-5-11(15)17-13(8)16/h2-6,12,18H,1H3
InChIKeyLMDVVGWJICNSEB-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.21
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol

(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol (PubChem CID 67383458) has the molecular formula C13H10BrF2NO2 and a molecular weight of 330.13 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol
PubChem CID67383458
Molecular FormulaC13H10BrF2NO2
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1ccc(F)nc1F
InChIInChI=1S/C13H10BrF2NO2/c1-19-10-4-2-7(14)6-9(10)12(18)8-3-5-11(15)17-13(8)16/h2-6,12,18H,1H3
InChIKeyLMDVVGWJICNSEB-UHFFFAOYSA-N
XLogP3.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 63893821
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 82704014
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol (CID 67383458) is (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol is COc1ccc(Br)cc1C(O)c1ccc(F)nc1F.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol?
The InChIKey is LMDVVGWJICNSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2/c1-19-10-4-2-7(14)6-9(10)12(18)8-3-5-11(15)17-13(8)16/h2-6,12,18H,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol?
(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol has a molecular weight of 330.13 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol is sourced from PubChem (CID 67383458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).