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

C7H7BrClNO2 — CID 164890892

IUPAC(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1ncc(Br)c(CO)c1Cl
InChIInChI=1S/C7H7BrClNO2/c1-12-7-6(9)4(3-11)5(8)2-10-7/h2,11H,3H2,1H3
InChIKeyFFKHAFHSNBSYPZ-UHFFFAOYSA-N
MW252.49 g/mol
LogP2.00
Rot. Bonds2

About (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol

(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol (PubChem CID 164890892) has the molecular formula C7H7BrClNO2 and a molecular weight of 252.49 g/mol. Its IUPAC name is (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol
PubChem CID164890892
Molecular FormulaC7H7BrClNO2
Molecular Weight252.49 g/mol
Exact Mass250.93
IUPAC Name(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1ncc(Br)c(CO)c1Cl
InChIInChI=1S/C7H7BrClNO2/c1-12-7-6(9)4(3-11)5(8)2-10-7/h2,11H,3H2,1H3
InChIKeyFFKHAFHSNBSYPZ-UHFFFAOYSA-N
XLogP2.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol?
The IUPAC name of (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol (CID 164890892) is (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol?
The canonical SMILES for (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol is COc1ncc(Br)c(CO)c1Cl.
What is the InChIKey of (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol?
The InChIKey is FFKHAFHSNBSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2/c1-12-7-6(9)4(3-11)5(8)2-10-7/h2,11H,3H2,1H3.
What are the key properties of (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol?
(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol has a molecular weight of 252.49 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 164890892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).