3-bromo-2-methyl-6-(oxolan-2-yl)pyridine

C10H12BrNO — CID 172992725

IUPAC3-bromo-2-methyl-6-(oxolan-2-yl)pyridine
SMILESCc1nc(C2CCCO2)ccc1Br
InChIInChI=1S/C10H12BrNO/c1-7-8(11)4-5-9(12-7)10-3-2-6-13-10/h4-5,10H,2-3,6H2,1H3
InChIKeySZOKEGBAWVELQU-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.00
Rot. Bonds1

About 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine

3-bromo-2-methyl-6-(oxolan-2-yl)pyridine (PubChem CID 172992725) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-2-methyl-6-(oxolan-2-yl)pyridine
PubChem CID172992725
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-bromo-2-methyl-6-(oxolan-2-yl)pyridine
SMILESCc1nc(C2CCCO2)ccc1Br
InChIInChI=1S/C10H12BrNO/c1-7-8(11)4-5-9(12-7)10-3-2-6-13-10/h4-5,10H,2-3,6H2,1H3
InChIKeySZOKEGBAWVELQU-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
6-methyl-2-(oxolan-2-yl)pyridin-3-ol
CID 68852704
2-chloro-6-(oxan-2-yl)pyridin-3-amine
CID 115028133
2-(difluoromethyl)-6-(oxolan-2-yl)pyridine
CID 152696540
3-methoxy-6-(oxan-2-yl)pyridazine
CID 117105921
2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide
CID 70098380
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
6-bromo-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117129640
6-[(2R)-oxolan-2-yl]pyridine-3-carboxamide
CID 135030167
4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine
CID 162412127
4-bromo-6-(oxan-2-yl)pyridazin-3-amine
CID 117105823
2-bromo-5-(oxolan-2-yl)-1H-imidazole
CID 115029847

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine?
The IUPAC name of 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine (CID 172992725) is 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine.
What is the SMILES notation for 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine?
The canonical SMILES for 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine is Cc1nc(C2CCCO2)ccc1Br.
What is the InChIKey of 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine?
The InChIKey is SZOKEGBAWVELQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7-8(11)4-5-9(12-7)10-3-2-6-13-10/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine?
3-bromo-2-methyl-6-(oxolan-2-yl)pyridine has a molecular weight of 242.12 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-6-(oxolan-2-yl)pyridine is sourced from PubChem (CID 172992725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).