2-chloro-5-methylpyridine;1,1-dichloroethane

C8H10Cl3N — CID 163849047

IUPAC2-chloro-5-methylpyridine;1,1-dichloroethane
SMILESCC(Cl)Cl.Cc1ccc(Cl)nc1
InChIInChI=1S/C6H6ClN.C2H4Cl2/c1-5-2-3-6(7)8-4-5;1-2(3)4/h2-4H,1H3;2H,1H3
InChIKeyOSSVUXBOTDGDMD-UHFFFAOYSA-N
MW226.53 g/mol
LogP3.85
Rot. Bonds

About 2-chloro-5-methylpyridine;1,1-dichloroethane

2-chloro-5-methylpyridine;1,1-dichloroethane (PubChem CID 163849047) has the molecular formula C8H10Cl3N and a molecular weight of 226.53 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine;1,1-dichloroethane.

Molecular Properties

Compound Name2-chloro-5-methylpyridine;1,1-dichloroethane
PubChem CID163849047
Molecular FormulaC8H10Cl3N
Molecular Weight226.53 g/mol
Exact Mass224.99
IUPAC Name2-chloro-5-methylpyridine;1,1-dichloroethane
SMILESCC(Cl)Cl.Cc1ccc(Cl)nc1
InChIInChI=1S/C6H6ClN.C2H4Cl2/c1-5-2-3-6(7)8-4-5;1-2(3)4/h2-4H,1H3;2H,1H3
InChIKeyOSSVUXBOTDGDMD-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-5-methylpyridine;3-methylpyridine
CID 143093216
1,1-dichloroethane;1,4-xylene
CID 70558607
(6-chloro-3-pyridinyl)-trimethylstannane
CID 86593850
dichloroosmium;bis(5-methyl-2-(5-methyl-2-pyridinyl)pyridine)
CID 59404466
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
2-chloro-5-methylpyridine;ethane;3-methylbenzamide
CID 142196503
[1-(4-methylphenyl)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 24686842
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
CID 95169683
2-(1-fluoroethyl)-5-methylpyridine
CID 126491448
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyridine;1,1-dichloroethane?
The IUPAC name of 2-chloro-5-methylpyridine;1,1-dichloroethane (CID 163849047) is 2-chloro-5-methylpyridine;1,1-dichloroethane.
What is the SMILES notation for 2-chloro-5-methylpyridine;1,1-dichloroethane?
The canonical SMILES for 2-chloro-5-methylpyridine;1,1-dichloroethane is CC(Cl)Cl.Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-methylpyridine;1,1-dichloroethane?
The InChIKey is OSSVUXBOTDGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.C2H4Cl2/c1-5-2-3-6(7)8-4-5;1-2(3)4/h2-4H,1H3;2H,1H3.
What are the key properties of 2-chloro-5-methylpyridine;1,1-dichloroethane?
2-chloro-5-methylpyridine;1,1-dichloroethane has a molecular weight of 226.53 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyridine;1,1-dichloroethane is sourced from PubChem (CID 163849047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).