[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol

C19H14ClN3O — CID 90368113

IUPAC[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H14ClN3O/c20-16-11-10-15-19(22-16)23-18(21-15)14-8-6-13(7-9-14)17(24)12-4-2-1-3-5-12/h1-11,17,24H,(H,21,22,23)
InChIKeyMKSLKBKNTBCVKR-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.36
Rot. Bonds3

About [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol

[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol (PubChem CID 90368113) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol
PubChem CID90368113
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H14ClN3O/c20-16-11-10-15-19(22-16)23-18(21-15)14-8-6-13(7-9-14)17(24)12-4-2-1-3-5-12/h1-11,17,24H,(H,21,22,23)
InChIKeyMKSLKBKNTBCVKR-UHFFFAOYSA-N
XLogP4.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol?
The IUPAC name of [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol (CID 90368113) is [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol.
What is the SMILES notation for [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol?
The canonical SMILES for [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol is OC(c1ccccc1)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol?
The InChIKey is MKSLKBKNTBCVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-16-11-10-15-19(22-16)23-18(21-15)14-8-6-13(7-9-14)17(24)12-4-2-1-3-5-12/h1-11,17,24H,(H,21,22,23).
What are the key properties of [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol?
[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol has a molecular weight of 335.79 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-phenylmethanol is sourced from PubChem (CID 90368113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).