2-(1,3-dichloropropan-2-yl)pyridine

C8H9Cl2N — CID 14046520

IUPAC2-(1,3-dichloropropan-2-yl)pyridine
SMILESClCC(CCl)c1ccccn1
InChIInChI=1S/C8H9Cl2N/c9-5-7(6-10)8-3-1-2-4-11-8/h1-4,7H,5-6H2
InChIKeyGAXNOFQKVNHQRI-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.64
Rot. Bonds3

About 2-(1,3-dichloropropan-2-yl)pyridine

2-(1,3-dichloropropan-2-yl)pyridine (PubChem CID 14046520) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 2-(1,3-dichloropropan-2-yl)pyridine.

Molecular Properties

Compound Name2-(1,3-dichloropropan-2-yl)pyridine
PubChem CID14046520
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name2-(1,3-dichloropropan-2-yl)pyridine
SMILESClCC(CCl)c1ccccn1
InChIInChI=1S/C8H9Cl2N/c9-5-7(6-10)8-3-1-2-4-11-8/h1-4,7H,5-6H2
InChIKeyGAXNOFQKVNHQRI-UHFFFAOYSA-N
XLogP2.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-1-pyridin-2-ylethanol
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2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
chloro(pyridin-2-yl)methanamine
CID 22075524
2-tridecan-6-ylpyridine
CID 139295924
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2-decan-4-ylpyridine
CID 67882797

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dichloropropan-2-yl)pyridine?
The IUPAC name of 2-(1,3-dichloropropan-2-yl)pyridine (CID 14046520) is 2-(1,3-dichloropropan-2-yl)pyridine.
What is the SMILES notation for 2-(1,3-dichloropropan-2-yl)pyridine?
The canonical SMILES for 2-(1,3-dichloropropan-2-yl)pyridine is ClCC(CCl)c1ccccn1.
What is the InChIKey of 2-(1,3-dichloropropan-2-yl)pyridine?
The InChIKey is GAXNOFQKVNHQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c9-5-7(6-10)8-3-1-2-4-11-8/h1-4,7H,5-6H2.
What are the key properties of 2-(1,3-dichloropropan-2-yl)pyridine?
2-(1,3-dichloropropan-2-yl)pyridine has a molecular weight of 190.07 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dichloropropan-2-yl)pyridine is sourced from PubChem (CID 14046520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).