2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid

C14H16ClN3O2 — CID 82061717

IUPAC2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cn1c(C2CCCCC2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H16ClN3O2/c15-10-6-11-14(16-7-10)18(8-12(19)20)13(17-11)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,20)
InChIKeyBDWOLOVHDSGZBI-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.22
Rot. Bonds3

About 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid

2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid (PubChem CID 82061717) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid
PubChem CID82061717
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cn1c(C2CCCCC2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H16ClN3O2/c15-10-6-11-14(16-7-10)18(8-12(19)20)13(17-11)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,20)
InChIKeyBDWOLOVHDSGZBI-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid (CID 82061717) is 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid is O=C(O)Cn1c(C2CCCCC2)nc2cc(Cl)cnc21.
What is the InChIKey of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid?
The InChIKey is BDWOLOVHDSGZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-10-6-11-14(16-7-10)18(8-12(19)20)13(17-11)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,20).
What are the key properties of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid?
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid has a molecular weight of 293.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid is sourced from PubChem (CID 82061717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).