2-chloro-1-methyl-2H-pyridine;hydrochloride

C6H9Cl2N — CID 140993367

IUPAC2-chloro-1-methyl-2H-pyridine;hydrochloride
SMILESCN1C=CC=CC1Cl.Cl
InChIInChI=1S/C6H8ClN.ClH/c1-8-5-3-2-4-6(8)7;/h2-6H,1H3;1H
InChIKeyHNUCZSINLMMXDK-UHFFFAOYSA-N
MW166.05 g/mol
LogP1.99
Rot. Bonds

About 2-chloro-1-methyl-2H-pyridine;hydrochloride

2-chloro-1-methyl-2H-pyridine;hydrochloride (PubChem CID 140993367) has the molecular formula C6H9Cl2N and a molecular weight of 166.05 g/mol. Its IUPAC name is 2-chloro-1-methyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-methyl-2H-pyridine;hydrochloride
PubChem CID140993367
Molecular FormulaC6H9Cl2N
Molecular Weight166.05 g/mol
Exact Mass165.01
IUPAC Name2-chloro-1-methyl-2H-pyridine;hydrochloride
SMILESCN1C=CC=CC1Cl.Cl
InChIInChI=1S/C6H8ClN.ClH/c1-8-5-3-2-4-6(8)7;/h2-6H,1H3;1H
InChIKeyHNUCZSINLMMXDK-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,6-bis(chloromethyl)-2H-pyridine
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N-Chloromethyl-6-chloropyridine
CID 19361563
1,1-dimethyl-2H-pyridin-1-ium chloride
CID 19834592
6-chloro-1-ethyl-2H-pyridine
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1-(chloromethyl)-2H-pyridine
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1-(1-chloropropyl)-2H-pyridine
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6-chloro-1,1-dimethyl-2H-pyridin-1-ium
CID 21693517
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CID 22446108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-2H-pyridine;hydrochloride?
The IUPAC name of 2-chloro-1-methyl-2H-pyridine;hydrochloride (CID 140993367) is 2-chloro-1-methyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-1-methyl-2H-pyridine;hydrochloride?
The canonical SMILES for 2-chloro-1-methyl-2H-pyridine;hydrochloride is CN1C=CC=CC1Cl.Cl.
What is the InChIKey of 2-chloro-1-methyl-2H-pyridine;hydrochloride?
The InChIKey is HNUCZSINLMMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN.ClH/c1-8-5-3-2-4-6(8)7;/h2-6H,1H3;1H.
What are the key properties of 2-chloro-1-methyl-2H-pyridine;hydrochloride?
2-chloro-1-methyl-2H-pyridine;hydrochloride has a molecular weight of 166.05 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 140993367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).