2-methylpyridin-1-ium;triphenylmethanol;chloride

C25H24ClNO — CID 139202359

IUPAC2-methylpyridin-1-ium;triphenylmethanol;chloride
SMILESCc1cccc[nH+]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H16O.C6H7N.ClH/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7-6;/h1-15,20H;2-5H,1H3;1H
InChIKeyHHTYOUQQQHRTGO-UHFFFAOYSA-N
MW389.93 g/mol
LogP1.78
Rot. Bonds3

About 2-methylpyridin-1-ium;triphenylmethanol;chloride

2-methylpyridin-1-ium;triphenylmethanol;chloride (PubChem CID 139202359) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-methylpyridin-1-ium;triphenylmethanol;chloride.

Molecular Properties

Compound Name2-methylpyridin-1-ium;triphenylmethanol;chloride
PubChem CID139202359
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name2-methylpyridin-1-ium;triphenylmethanol;chloride
SMILESCc1cccc[nH+]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H16O.C6H7N.ClH/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7-6;/h1-15,20H;2-5H,1H3;1H
InChIKeyHHTYOUQQQHRTGO-UHFFFAOYSA-N
XLogP1.78
TPSA34.37 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyridin-1-ium;triphenylmethanol;chloride?
The IUPAC name of 2-methylpyridin-1-ium;triphenylmethanol;chloride (CID 139202359) is 2-methylpyridin-1-ium;triphenylmethanol;chloride.
What is the SMILES notation for 2-methylpyridin-1-ium;triphenylmethanol;chloride?
The canonical SMILES for 2-methylpyridin-1-ium;triphenylmethanol;chloride is Cc1cccc[nH+]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-methylpyridin-1-ium;triphenylmethanol;chloride?
The InChIKey is HHTYOUQQQHRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O.C6H7N.ClH/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7-6;/h1-15,20H;2-5H,1H3;1H.
What are the key properties of 2-methylpyridin-1-ium;triphenylmethanol;chloride?
2-methylpyridin-1-ium;triphenylmethanol;chloride has a molecular weight of 389.93 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridin-1-ium;triphenylmethanol;chloride is sourced from PubChem (CID 139202359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).