2-chloro-4,5-dimethylpyridine;ethane

C9H14ClN — CID 144586230

IUPAC2-chloro-4,5-dimethylpyridine;ethane
SMILESCC.Cc1cnc(Cl)cc1C
InChIInChI=1S/C7H8ClN.C2H6/c1-5-3-7(8)9-4-6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWZAPJCJXLJBTQE-UHFFFAOYSA-N
MW171.67 g/mol
LogP3.38
Rot. Bonds

About 2-chloro-4,5-dimethylpyridine;ethane

2-chloro-4,5-dimethylpyridine;ethane (PubChem CID 144586230) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 2-chloro-4,5-dimethylpyridine;ethane.

Molecular Properties

Compound Name2-chloro-4,5-dimethylpyridine;ethane
PubChem CID144586230
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name2-chloro-4,5-dimethylpyridine;ethane
SMILESCC.Cc1cnc(Cl)cc1C
InChIInChI=1S/C7H8ClN.C2H6/c1-5-3-7(8)9-4-6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWZAPJCJXLJBTQE-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 53.38
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-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785052
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 83269021
CID 176942161
CID 176942161
2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine
CID 83267819
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-N,N-diethylethanamine
CID 83267824
6-chloro-4-methylpyridine-3-sulfonamide
CID 114953224
4-chloro-2,5-dimethylpyridine;ethane
CID 176713957
(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid
CID 142793277
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
1-(2-chloro-5-methyl-4-pyridinyl)propan-1-one
CID 170702285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethylpyridine;ethane?
The IUPAC name of 2-chloro-4,5-dimethylpyridine;ethane (CID 144586230) is 2-chloro-4,5-dimethylpyridine;ethane.
What is the SMILES notation for 2-chloro-4,5-dimethylpyridine;ethane?
The canonical SMILES for 2-chloro-4,5-dimethylpyridine;ethane is CC.Cc1cnc(Cl)cc1C.
What is the InChIKey of 2-chloro-4,5-dimethylpyridine;ethane?
The InChIKey is WZAPJCJXLJBTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C2H6/c1-5-3-7(8)9-4-6(5)2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 2-chloro-4,5-dimethylpyridine;ethane?
2-chloro-4,5-dimethylpyridine;ethane has a molecular weight of 171.67 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethylpyridine;ethane is sourced from PubChem (CID 144586230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).