1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H12ClN3 — CID 117247708

IUPAC1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESClc1nc(-c2cccnc2)n2c1CCCC2
InChIInChI=1S/C12H12ClN3/c13-11-10-5-1-2-7-16(10)12(15-11)9-4-3-6-14-8-9/h3-4,6,8H,1-2,5,7H2
InChIKeyYGELYMJXFBENKP-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds1

About 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117247708) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117247708
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESClc1nc(-c2cccnc2)n2c1CCCC2
InChIInChI=1S/C12H12ClN3/c13-11-10-5-1-2-7-16(10)12(15-11)9-4-3-6-14-8-9/h3-4,6,8H,1-2,5,7H2
InChIKeyYGELYMJXFBENKP-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117247708) is 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Clc1nc(-c2cccnc2)n2c1CCCC2.
What is the InChIKey of 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is YGELYMJXFBENKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-11-10-5-1-2-7-16(10)12(15-11)9-4-3-6-14-8-9/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 233.70 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117247708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).