5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine

C19H15N2+ — CID 2829019

IUPAC5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine
SMILESC[n+]1cccc(C=C2c3ccccc3-c3ncccc32)c1
InChIInChI=1S/C19H15N2/c1-21-11-5-6-14(13-21)12-18-15-7-2-3-8-16(15)19-17(18)9-4-10-20-19/h2-13H,1H3/q+1
InChIKeyMXWWMNMDDHDEHQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.48
Rot. Bonds1

About 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine

5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine (PubChem CID 2829019) has the molecular formula C19H15N2+ and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine.

Molecular Properties

Compound Name5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine
PubChem CID2829019
Molecular FormulaC19H15N2+
Molecular Weight271.34 g/mol
Exact Mass271.12
IUPAC Name5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine
SMILESC[n+]1cccc(C=C2c3ccccc3-c3ncccc32)c1
InChIInChI=1S/C19H15N2/c1-21-11-5-6-14(13-21)12-18-15-7-2-3-8-16(15)19-17(18)9-4-10-20-19/h2-13H,1H3/q+1
InChIKeyMXWWMNMDDHDEHQ-UHFFFAOYSA-N
XLogP3.48
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine?
The IUPAC name of 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine (CID 2829019) is 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine.
What is the SMILES notation for 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine?
The canonical SMILES for 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine is C[n+]1cccc(C=C2c3ccccc3-c3ncccc32)c1.
What is the InChIKey of 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine?
The InChIKey is MXWWMNMDDHDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2/c1-21-11-5-6-14(13-21)12-18-15-7-2-3-8-16(15)19-17(18)9-4-10-20-19/h2-13H,1H3/q+1.
What are the key properties of 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine?
5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine has a molecular weight of 271.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyridin-1-ium-3-yl)methylidene]indeno[1,2-b]pyridine is sourced from PubChem (CID 2829019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).