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

C8H10BrNO — CID 155580120

IUPAC(3-bromo-6-ethyl-2-pyridinyl)methanol
SMILESCCc1ccc(Br)c(CO)n1
InChIInChI=1S/C8H10BrNO/c1-2-6-3-4-7(9)8(5-11)10-6/h3-4,11H,2,5H2,1H3
InChIKeyNMRRSNCDNDZUSD-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.90
Rot. Bonds2

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

(3-bromo-6-ethyl-2-pyridinyl)methanol (PubChem CID 155580120) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is (3-bromo-6-ethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromo-6-ethyl-2-pyridinyl)methanol
PubChem CID155580120
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name(3-bromo-6-ethyl-2-pyridinyl)methanol
SMILESCCc1ccc(Br)c(CO)n1
InChIInChI=1S/C8H10BrNO/c1-2-6-3-4-7(9)8(5-11)10-6/h3-4,11H,2,5H2,1H3
InChIKeyNMRRSNCDNDZUSD-UHFFFAOYSA-N
XLogP1.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-6-ethyl-2-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-ethyl-2-pyridinyl)methanol?
The IUPAC name of (3-bromo-6-ethyl-2-pyridinyl)methanol (CID 155580120) is (3-bromo-6-ethyl-2-pyridinyl)methanol.
What is the SMILES notation for (3-bromo-6-ethyl-2-pyridinyl)methanol?
The canonical SMILES for (3-bromo-6-ethyl-2-pyridinyl)methanol is CCc1ccc(Br)c(CO)n1.
What is the InChIKey of (3-bromo-6-ethyl-2-pyridinyl)methanol?
The InChIKey is NMRRSNCDNDZUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-2-6-3-4-7(9)8(5-11)10-6/h3-4,11H,2,5H2,1H3.
What are the key properties of (3-bromo-6-ethyl-2-pyridinyl)methanol?
(3-bromo-6-ethyl-2-pyridinyl)methanol has a molecular weight of 216.08 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-ethyl-2-pyridinyl)methanol is sourced from PubChem (CID 155580120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).