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

C11H12ClN3 — CID 10632785

IUPACN-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine
SMILESCCN(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C11H12ClN3/c1-2-14(10-5-7-13-8-6-10)15-9-3-4-11(15)12/h3-9H,2H2,1H3
InChIKeyPWGPOXYWHCBNEA-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.83
Rot. Bonds3

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

N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine (PubChem CID 10632785) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine
PubChem CID10632785
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC NameN-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine
SMILESCCN(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C11H12ClN3/c1-2-14(10-5-7-13-8-6-10)15-9-3-4-11(15)12/h3-9H,2H2,1H3
InChIKeyPWGPOXYWHCBNEA-UHFFFAOYSA-N
XLogP2.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine?
The IUPAC name of N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine (CID 10632785) is N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine.
What is the SMILES notation for N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine?
The canonical SMILES for N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine is CCN(c1ccncc1)n1cccc1Cl.
What is the InChIKey of N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine?
The InChIKey is PWGPOXYWHCBNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-2-14(10-5-7-13-8-6-10)15-9-3-4-11(15)12/h3-9H,2H2,1H3.
What are the key properties of N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine?
N-(2-chloropyrrol-1-yl)-N-ethylpyridin-4-amine has a molecular weight of 221.69 g/mol, XLogP of 2.83, 3 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-ethylpyridin-4-amine is sourced from PubChem (CID 10632785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).