2-bromo-5-chloro-4-methylpyridine;ethane

C8H11BrClN — CID 144611479

IUPAC2-bromo-5-chloro-4-methylpyridine;ethane
SMILESCC.Cc1cc(Br)ncc1Cl
InChIInChI=1S/C6H5BrClN.C2H6/c1-4-2-6(7)9-3-5(4)8;1-2/h2-3H,1H3;1-2H3
InChIKeyJSQSTANNXNQLBM-UHFFFAOYSA-N
MW236.54 g/mol
LogP3.83
Rot. Bonds

About 2-bromo-5-chloro-4-methylpyridine;ethane

2-bromo-5-chloro-4-methylpyridine;ethane (PubChem CID 144611479) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methylpyridine;ethane.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methylpyridine;ethane
PubChem CID144611479
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name2-bromo-5-chloro-4-methylpyridine;ethane
SMILESCC.Cc1cc(Br)ncc1Cl
InChIInChI=1S/C6H5BrClN.C2H6/c1-4-2-6(7)9-3-5(4)8;1-2/h2-3H,1H3;1-2H3
InChIKeyJSQSTANNXNQLBM-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(chloromethyl)-4-methylpyridine
CID 102545117
2,4-dibromo-5-methylpyridine
CID 12643719
(6-bromo-4-methyl-3-pyridinyl)-trimethylsilane
CID 140774579
(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine
CID 131014131
5-chloro-2-ethynyl-4-methylpyridine
CID 74888663
1-(5-chloro-4-methyl-2-pyridinyl)ethanamine
CID 130116187
4,6-dibromo-3,5-dichloro-8-methylquinoline
CID 164661316
5-chloro-4-methyl-2-nitropyridine
CID 77230639
5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine
CID 58542754
2-bromo-5-tert-butylsulfanyl-4-methylpyridine
CID 102545130
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
4-chloro-2,5-dimethylpyridine;ethane
CID 176713957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methylpyridine;ethane?
The IUPAC name of 2-bromo-5-chloro-4-methylpyridine;ethane (CID 144611479) is 2-bromo-5-chloro-4-methylpyridine;ethane.
What is the SMILES notation for 2-bromo-5-chloro-4-methylpyridine;ethane?
The canonical SMILES for 2-bromo-5-chloro-4-methylpyridine;ethane is CC.Cc1cc(Br)ncc1Cl.
What is the InChIKey of 2-bromo-5-chloro-4-methylpyridine;ethane?
The InChIKey is JSQSTANNXNQLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN.C2H6/c1-4-2-6(7)9-3-5(4)8;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 2-bromo-5-chloro-4-methylpyridine;ethane?
2-bromo-5-chloro-4-methylpyridine;ethane has a molecular weight of 236.54 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methylpyridine;ethane is sourced from PubChem (CID 144611479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).