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

C7H8BrNO2 — CID 14402959

IUPAC(3-bromo-4-methoxy-2-pyridinyl)methanol
SMILESCOc1ccnc(CO)c1Br
InChIInChI=1S/C7H8BrNO2/c1-11-6-2-3-9-5(4-10)7(6)8/h2-3,10H,4H2,1H3
InChIKeyLBJBGSIFAMYMSR-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.35
Rot. Bonds2

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

(3-bromo-4-methoxy-2-pyridinyl)methanol (PubChem CID 14402959) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is (3-bromo-4-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxy-2-pyridinyl)methanol
PubChem CID14402959
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name(3-bromo-4-methoxy-2-pyridinyl)methanol
SMILESCOc1ccnc(CO)c1Br
InChIInChI=1S/C7H8BrNO2/c1-11-6-2-3-9-5(4-10)7(6)8/h2-3,10H,4H2,1H3
InChIKeyLBJBGSIFAMYMSR-UHFFFAOYSA-N
XLogP1.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol
CID 67605500
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
CID 11229760
4-methoxy-3-methyl-2-propylpyridine
CID 89037214
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxy-2-pyridinyl)methanol?
The IUPAC name of (3-bromo-4-methoxy-2-pyridinyl)methanol (CID 14402959) is (3-bromo-4-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxy-2-pyridinyl)methanol?
The canonical SMILES for (3-bromo-4-methoxy-2-pyridinyl)methanol is COc1ccnc(CO)c1Br.
What is the InChIKey of (3-bromo-4-methoxy-2-pyridinyl)methanol?
The InChIKey is LBJBGSIFAMYMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-11-6-2-3-9-5(4-10)7(6)8/h2-3,10H,4H2,1H3.
What are the key properties of (3-bromo-4-methoxy-2-pyridinyl)methanol?
(3-bromo-4-methoxy-2-pyridinyl)methanol has a molecular weight of 218.05 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 14402959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).