2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile

C9H7Cl3N2 — CID 59311782

IUPAC2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(Cl)nc(Cl)c1CCCl
InChIInChI=1S/C9H7Cl3N2/c1-5-6(2-3-10)8(11)14-9(12)7(5)4-13/h2-3H2,1H3
InChIKeyCETAOVZVTRVJEQ-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.35
Rot. Bonds2

About 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile

2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile (PubChem CID 59311782) has the molecular formula C9H7Cl3N2 and a molecular weight of 249.53 g/mol. Its IUPAC name is 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile
PubChem CID59311782
Molecular FormulaC9H7Cl3N2
Molecular Weight249.53 g/mol
Exact Mass247.97
IUPAC Name2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(Cl)nc(Cl)c1CCCl
InChIInChI=1S/C9H7Cl3N2/c1-5-6(2-3-10)8(11)14-9(12)7(5)4-13/h2-3H2,1H3
InChIKeyCETAOVZVTRVJEQ-UHFFFAOYSA-N
XLogP3.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
methyl 2-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)acetate
CID 84613491
4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine
CID 94077114
2-(2-chloroethyl)-1-(dibenzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4516872
N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide
CID 84613443
2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile
CID 86241914
2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94280813
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 154181869
2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 13408084
2-chloro-6-ethyl-8-fluoro-4-methylquinoline-3-carbonitrile
CID 137434420
3-chloro-5-methyl-1H-pyrazole-4-carbonitrile
CID 69012503

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile (CID 59311782) is 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile is Cc1c(C#N)c(Cl)nc(Cl)c1CCCl.
What is the InChIKey of 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile?
The InChIKey is CETAOVZVTRVJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N2/c1-5-6(2-3-10)8(11)14-9(12)7(5)4-13/h2-3H2,1H3.
What are the key properties of 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile?
2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile has a molecular weight of 249.53 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 59311782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).