N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine

C10H10ClN3 — CID 10536326

IUPACN-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine
SMILESCN(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C10H10ClN3/c1-13(9-4-6-12-7-5-9)14-8-2-3-10(14)11/h2-8H,1H3
InChIKeyXQAFBPMRMMAVOI-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.44
Rot. Bonds2

About N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine

N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine (PubChem CID 10536326) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine
PubChem CID10536326
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC NameN-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine
SMILESCN(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C10H10ClN3/c1-13(9-4-6-12-7-5-9)14-8-2-3-10(14)11/h2-8H,1H3
InChIKeyXQAFBPMRMMAVOI-UHFFFAOYSA-N
XLogP2.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine?
The IUPAC name of N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine (CID 10536326) is N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine?
The canonical SMILES for N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine is CN(c1ccncc1)n1cccc1Cl.
What is the InChIKey of N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine?
The InChIKey is XQAFBPMRMMAVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-13(9-4-6-12-7-5-9)14-8-2-3-10(14)11/h2-8H,1H3.
What are the key properties of N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine?
N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine has a molecular weight of 207.66 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine is sourced from PubChem (CID 10536326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).