2-chloro-3-methylpyridin-1-ium-1-amine

C6H8ClN2+ — CID 138040519

IUPAC2-chloro-3-methylpyridin-1-ium-1-amine
SMILESCc1ccc[n+](N)c1Cl
InChIInChI=1S/C6H8ClN2/c1-5-3-2-4-9(8)6(5)7/h2-4H,8H2,1H3/q+1
InChIKeyNCYKPXDARRIPPR-UHFFFAOYSA-N
MW143.60 g/mol
LogP0.65
Rot. Bonds

About 2-chloro-3-methylpyridin-1-ium-1-amine

2-chloro-3-methylpyridin-1-ium-1-amine (PubChem CID 138040519) has the molecular formula C6H8ClN2+ and a molecular weight of 143.60 g/mol. Its IUPAC name is 2-chloro-3-methylpyridin-1-ium-1-amine.

Molecular Properties

Compound Name2-chloro-3-methylpyridin-1-ium-1-amine
PubChem CID138040519
Molecular FormulaC6H8ClN2+
Molecular Weight143.60 g/mol
Exact Mass143.04
IUPAC Name2-chloro-3-methylpyridin-1-ium-1-amine
SMILESCc1ccc[n+](N)c1Cl
InChIInChI=1S/C6H8ClN2/c1-5-3-2-4-9(8)6(5)7/h2-4H,8H2,1H3/q+1
InChIKeyNCYKPXDARRIPPR-UHFFFAOYSA-N
XLogP0.65
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.60
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-chloropyridin-1-ium-1,3-diamine
CID 21318211
3-methylpyridin-1-ium-1,2-diamine
CID 4553263
2,3-dimethylpyridin-1-ium-1-amine;2,4,6-trimethylbenzenesulfonate
CID 12887724
2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
CID 123291859
1,2-xylene
CID 173422016
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
O-(2-chloro-3-methylphenyl)hydroxylamine;hydrochloride
CID 173447819
1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
CID 66838097
CID 66838097
hydrazine;1,2-xylene;dihydrochloride
CID 172851293
3-chloropyridin-1-ium-1-amine iodide
CID 68799483
1-methylquinolizin-5-ium
CID 54492614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylpyridin-1-ium-1-amine?
The IUPAC name of 2-chloro-3-methylpyridin-1-ium-1-amine (CID 138040519) is 2-chloro-3-methylpyridin-1-ium-1-amine.
What is the SMILES notation for 2-chloro-3-methylpyridin-1-ium-1-amine?
The canonical SMILES for 2-chloro-3-methylpyridin-1-ium-1-amine is Cc1ccc[n+](N)c1Cl.
What is the InChIKey of 2-chloro-3-methylpyridin-1-ium-1-amine?
The InChIKey is NCYKPXDARRIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN2/c1-5-3-2-4-9(8)6(5)7/h2-4H,8H2,1H3/q+1.
What are the key properties of 2-chloro-3-methylpyridin-1-ium-1-amine?
2-chloro-3-methylpyridin-1-ium-1-amine has a molecular weight of 143.60 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylpyridin-1-ium-1-amine is sourced from PubChem (CID 138040519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).