2-(dichloromethyl)pyridine;hydrochloride

C6H6Cl3N — CID 18385076

IUPAC2-(dichloromethyl)pyridine;hydrochloride
SMILESCl.ClC(Cl)c1ccccn1
InChIInChI=1S/C6H5Cl2N.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4,6H;1H
InChIKeyLXMVYKLRRYQLNS-UHFFFAOYSA-N
MW198.48 g/mol
LogP2.98
Rot. Bonds1

About 2-(dichloromethyl)pyridine;hydrochloride

2-(dichloromethyl)pyridine;hydrochloride (PubChem CID 18385076) has the molecular formula C6H6Cl3N and a molecular weight of 198.48 g/mol. Its IUPAC name is 2-(dichloromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(dichloromethyl)pyridine;hydrochloride
PubChem CID18385076
Molecular FormulaC6H6Cl3N
Molecular Weight198.48 g/mol
Exact Mass196.96
IUPAC Name2-(dichloromethyl)pyridine;hydrochloride
SMILESCl.ClC(Cl)c1ccccn1
InChIInChI=1S/C6H5Cl2N.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4,6H;1H
InChIKeyLXMVYKLRRYQLNS-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.48
LogP ≤ 52.98
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

chloro(pyridin-2-yl)methanamine
CID 22075524
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915
2-(1-chloroprop-2-ynyl)pyridine
CID 146397078
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-chloro-1-pyridin-2-ylethanol
CID 22145518
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)pyridine;hydrochloride?
The IUPAC name of 2-(dichloromethyl)pyridine;hydrochloride (CID 18385076) is 2-(dichloromethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-(dichloromethyl)pyridine;hydrochloride?
The canonical SMILES for 2-(dichloromethyl)pyridine;hydrochloride is Cl.ClC(Cl)c1ccccn1.
What is the InChIKey of 2-(dichloromethyl)pyridine;hydrochloride?
The InChIKey is LXMVYKLRRYQLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4,6H;1H.
What are the key properties of 2-(dichloromethyl)pyridine;hydrochloride?
2-(dichloromethyl)pyridine;hydrochloride has a molecular weight of 198.48 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)pyridine;hydrochloride is sourced from PubChem (CID 18385076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).