N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine

C9H12ClN3 — CID 127017021

IUPACN-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine
SMILESClc1cccnc1NCC1CNC1
InChIInChI=1S/C9H12ClN3/c10-8-2-1-3-12-9(8)13-6-7-4-11-5-7/h1-3,7,11H,4-6H2,(H,12,13)
InChIKeyRGGNWHLRTKSDCR-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.37
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine

N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine (PubChem CID 127017021) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine
PubChem CID127017021
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine
SMILESClc1cccnc1NCC1CNC1
InChIInChI=1S/C9H12ClN3/c10-8-2-1-3-12-9(8)13-6-7-4-11-5-7/h1-3,7,11H,4-6H2,(H,12,13)
InChIKeyRGGNWHLRTKSDCR-UHFFFAOYSA-N
XLogP1.37
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine (CID 127017021) is N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine is Clc1cccnc1NCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine?
The InChIKey is RGGNWHLRTKSDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-2-1-3-12-9(8)13-6-7-4-11-5-7/h1-3,7,11H,4-6H2,(H,12,13).
What are the key properties of N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine?
N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine is sourced from PubChem (CID 127017021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).