(3-bromo-6-methoxy-2-pyridinyl)methanol

C7H8BrNO2 — CID 11769918

IUPAC(3-bromo-6-methoxy-2-pyridinyl)methanol
SMILESCOc1ccc(Br)c(CO)n1
InChIInChI=1S/C7H8BrNO2/c1-11-7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3
InChIKeyFNRPOELSJDDLSG-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.35
Rot. Bonds2

About (3-bromo-6-methoxy-2-pyridinyl)methanol

(3-bromo-6-methoxy-2-pyridinyl)methanol (PubChem CID 11769918) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is (3-bromo-6-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromo-6-methoxy-2-pyridinyl)methanol
PubChem CID11769918
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name(3-bromo-6-methoxy-2-pyridinyl)methanol
SMILESCOc1ccc(Br)c(CO)n1
InChIInChI=1S/C7H8BrNO2/c1-11-7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3
InChIKeyFNRPOELSJDDLSG-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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Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-methoxy-2-pyridinyl)methanol?
The IUPAC name of (3-bromo-6-methoxy-2-pyridinyl)methanol (CID 11769918) is (3-bromo-6-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for (3-bromo-6-methoxy-2-pyridinyl)methanol?
The canonical SMILES for (3-bromo-6-methoxy-2-pyridinyl)methanol is COc1ccc(Br)c(CO)n1.
What is the InChIKey of (3-bromo-6-methoxy-2-pyridinyl)methanol?
The InChIKey is FNRPOELSJDDLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-11-7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3.
What are the key properties of (3-bromo-6-methoxy-2-pyridinyl)methanol?
(3-bromo-6-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-6-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 11769918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).