1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine

C9H12ClN5 — CID 130474599

IUPAC1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine
SMILESNC1CN(C2Nc3ccc(Cl)nc3N2)C1
InChIInChI=1S/C9H12ClN5/c10-7-2-1-6-8(13-7)14-9(12-6)15-3-5(11)4-15/h1-2,5,9,12H,3-4,11H2,(H,13,14)
InChIKeyFNCYMYOGUJEHAJ-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.50
Rot. Bonds1

About 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine

1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine (PubChem CID 130474599) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine
PubChem CID130474599
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine
SMILESNC1CN(C2Nc3ccc(Cl)nc3N2)C1
InChIInChI=1S/C9H12ClN5/c10-7-2-1-6-8(13-7)14-9(12-6)15-3-5(11)4-15/h1-2,5,9,12H,3-4,11H2,(H,13,14)
InChIKeyFNCYMYOGUJEHAJ-UHFFFAOYSA-N
XLogP0.50
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine (CID 130474599) is 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine is NC1CN(C2Nc3ccc(Cl)nc3N2)C1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine?
The InChIKey is FNCYMYOGUJEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c10-7-2-1-6-8(13-7)14-9(12-6)15-3-5(11)4-15/h1-2,5,9,12H,3-4,11H2,(H,13,14).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine?
1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine has a molecular weight of 225.68 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine is sourced from PubChem (CID 130474599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).