1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine

C10H13ClN4 — CID 82144061

IUPAC1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine
SMILESCCC(N)Cn1cnc2cc(Cl)cnc21
InChIInChI=1S/C10H13ClN4/c1-2-8(12)5-15-6-14-9-3-7(11)4-13-10(9)15/h3-4,6,8H,2,5,12H2,1H3
InChIKeyULKOQPPSYFTXAO-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.82
Rot. Bonds3

About 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine

1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine (PubChem CID 82144061) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine
PubChem CID82144061
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine
SMILESCCC(N)Cn1cnc2cc(Cl)cnc21
InChIInChI=1S/C10H13ClN4/c1-2-8(12)5-15-6-14-9-3-7(11)4-13-10(9)15/h3-4,6,8H,2,5,12H2,1H3
InChIKeyULKOQPPSYFTXAO-UHFFFAOYSA-N
XLogP1.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine?
The IUPAC name of 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine (CID 82144061) is 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine.
What is the SMILES notation for 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine?
The canonical SMILES for 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine is CCC(N)Cn1cnc2cc(Cl)cnc21.
What is the InChIKey of 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine?
The InChIKey is ULKOQPPSYFTXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-2-8(12)5-15-6-14-9-3-7(11)4-13-10(9)15/h3-4,6,8H,2,5,12H2,1H3.
What are the key properties of 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine?
1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine has a molecular weight of 224.69 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine is sourced from PubChem (CID 82144061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).