3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol

C16H16ClN3O — CID 82150963

IUPAC3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESCc1ccc(-c2nc3cc(Cl)cnc3n2CCCO)cc1
InChIInChI=1S/C16H16ClN3O/c1-11-3-5-12(6-4-11)15-19-14-9-13(17)10-18-16(14)20(15)7-2-8-21/h3-6,9-10,21H,2,7-8H2,1H3
InChIKeyKHYIVTPLOATQOM-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.44
Rot. Bonds4

About 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol

3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol (PubChem CID 82150963) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
PubChem CID82150963
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESCc1ccc(-c2nc3cc(Cl)cnc3n2CCCO)cc1
InChIInChI=1S/C16H16ClN3O/c1-11-3-5-12(6-4-11)15-19-14-9-13(17)10-18-16(14)20(15)7-2-8-21/h3-6,9-10,21H,2,7-8H2,1H3
InChIKeyKHYIVTPLOATQOM-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
3-[6-chloro-2-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 94757538
3-[6-chloro-2-(2-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 94757541
3-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanethioamide
CID 94757877
2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150776
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 82143724
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-ol
CID 82150914
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746856
7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione
CID 90402663
2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 93209820

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The IUPAC name of 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol (CID 82150963) is 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The canonical SMILES for 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol is Cc1ccc(-c2nc3cc(Cl)cnc3n2CCCO)cc1.
What is the InChIKey of 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The InChIKey is KHYIVTPLOATQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-11-3-5-12(6-4-11)15-19-14-9-13(17)10-18-16(14)20(15)7-2-8-21/h3-6,9-10,21H,2,7-8H2,1H3.
What are the key properties of 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol has a molecular weight of 301.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 82150963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).