4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol

C12H8ClN3O2 — CID 136998772

IUPAC4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1O
InChIInChI=1S/C12H8ClN3O2/c13-7-4-8-12(14-5-7)16-11(15-8)6-1-2-9(17)10(18)3-6/h1-5,17-18H,(H,14,15,16)
InChIKeyIUDRYGHAJBRBIL-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.69
Rot. Bonds1

About 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol

4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol (PubChem CID 136998772) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol
PubChem CID136998772
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1O
InChIInChI=1S/C12H8ClN3O2/c13-7-4-8-12(14-5-7)16-11(15-8)6-1-2-9(17)10(18)3-6/h1-5,17-18H,(H,14,15,16)
InChIKeyIUDRYGHAJBRBIL-UHFFFAOYSA-N
XLogP2.69
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol (CID 136998772) is 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol is Oc1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1O.
What is the InChIKey of 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol?
The InChIKey is IUDRYGHAJBRBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c13-7-4-8-12(14-5-7)16-11(15-8)6-1-2-9(17)10(18)3-6/h1-5,17-18H,(H,14,15,16).
What are the key properties of 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol?
4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol has a molecular weight of 261.67 g/mol, XLogP of 2.69, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136998772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).