2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol

C9H11BrClNO — CID 71114982

IUPAC2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol
SMILESCc1c(Br)cnc(C(C)(C)O)c1Cl
InChIInChI=1S/C9H11BrClNO/c1-5-6(10)4-12-8(7(5)11)9(2,3)13/h4,13H,1-3H3
InChIKeyGKQIIOQFWCGVQI-UHFFFAOYSA-N
MW264.55 g/mol
LogP3.03
Rot. Bonds1

About 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol

2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol (PubChem CID 71114982) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol
PubChem CID71114982
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol
SMILESCc1c(Br)cnc(C(C)(C)O)c1Cl
InChIInChI=1S/C9H11BrClNO/c1-5-6(10)4-12-8(7(5)11)9(2,3)13/h4,13H,1-3H3
InChIKeyGKQIIOQFWCGVQI-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol (CID 71114982) is 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol is Cc1c(Br)cnc(C(C)(C)O)c1Cl.
What is the InChIKey of 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol?
The InChIKey is GKQIIOQFWCGVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-5-6(10)4-12-8(7(5)11)9(2,3)13/h4,13H,1-3H3.
What are the key properties of 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol?
2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol has a molecular weight of 264.55 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 71114982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).