2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine

C10H12ClN2+ — CID 123609801

IUPAC2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine
SMILESC[N+]1=C(c2cccnc2Cl)CCC1
InChIInChI=1S/C10H12ClN2/c1-13-7-3-5-9(13)8-4-2-6-12-10(8)11/h2,4,6H,3,5,7H2,1H3/q+1
InChIKeyUQCLJOGFPVUDNP-UHFFFAOYSA-N
MW195.67 g/mol
LogP1.96
Rot. Bonds1

About 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine

2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine (PubChem CID 123609801) has the molecular formula C10H12ClN2+ and a molecular weight of 195.67 g/mol. Its IUPAC name is 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine
PubChem CID123609801
Molecular FormulaC10H12ClN2+
Molecular Weight195.67 g/mol
Exact Mass195.07
IUPAC Name2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine
SMILESC[N+]1=C(c2cccnc2Cl)CCC1
InChIInChI=1S/C10H12ClN2/c1-13-7-3-5-9(13)8-4-2-6-12-10(8)11/h2,4,6H,3,5,7H2,1H3/q+1
InChIKeyUQCLJOGFPVUDNP-UHFFFAOYSA-N
XLogP1.96
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine?
The IUPAC name of 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine (CID 123609801) is 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine.
What is the SMILES notation for 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine?
The canonical SMILES for 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine is C[N+]1=C(c2cccnc2Cl)CCC1.
What is the InChIKey of 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine?
The InChIKey is UQCLJOGFPVUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN2/c1-13-7-3-5-9(13)8-4-2-6-12-10(8)11/h2,4,6H,3,5,7H2,1H3/q+1.
What are the key properties of 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine?
2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine has a molecular weight of 195.67 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine is sourced from PubChem (CID 123609801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).