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

C9H8ClN3 — CID 10821618

IUPACN-(2-chloropyrrol-1-yl)pyridin-4-amine
SMILESClc1cccn1Nc1ccncc1
InChIInChI=1S/C9H8ClN3/c10-9-2-1-7-13(9)12-8-3-5-11-6-4-8/h1-7H,(H,11,12)
InChIKeyKCMCMBUSJHQMIC-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.41
Rot. Bonds2

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

N-(2-chloropyrrol-1-yl)pyridin-4-amine (PubChem CID 10821618) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is N-(2-chloropyrrol-1-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloropyrrol-1-yl)pyridin-4-amine
PubChem CID10821618
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC NameN-(2-chloropyrrol-1-yl)pyridin-4-amine
SMILESClc1cccn1Nc1ccncc1
InChIInChI=1S/C9H8ClN3/c10-9-2-1-7-13(9)12-8-3-5-11-6-4-8/h1-7H,(H,11,12)
InChIKeyKCMCMBUSJHQMIC-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrrol-1-yl)pyridin-4-amine?
The IUPAC name of N-(2-chloropyrrol-1-yl)pyridin-4-amine (CID 10821618) is N-(2-chloropyrrol-1-yl)pyridin-4-amine.
What is the SMILES notation for N-(2-chloropyrrol-1-yl)pyridin-4-amine?
The canonical SMILES for N-(2-chloropyrrol-1-yl)pyridin-4-amine is Clc1cccn1Nc1ccncc1.
What is the InChIKey of N-(2-chloropyrrol-1-yl)pyridin-4-amine?
The InChIKey is KCMCMBUSJHQMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-9-2-1-7-13(9)12-8-3-5-11-6-4-8/h1-7H,(H,11,12).
What are the key properties of N-(2-chloropyrrol-1-yl)pyridin-4-amine?
N-(2-chloropyrrol-1-yl)pyridin-4-amine has a molecular weight of 193.64 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrrol-1-yl)pyridin-4-amine is sourced from PubChem (CID 10821618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).