4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

C10H8BrClN6O — CID 59868392

IUPAC4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(Cl)nc(Br)cc21
InChIInChI=1S/C10H8BrClN6O/c1-2-18-4-3-5(11)14-8(12)6(4)15-10(18)7-9(13)17-19-16-7/h3H,2H2,1H3,(H2,13,17)
InChIKeyRCXFRPVYBOANFV-UHFFFAOYSA-N
MW343.57 g/mol
LogP2.50
Rot. Bonds2

About 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 59868392) has the molecular formula C10H8BrClN6O and a molecular weight of 343.57 g/mol. Its IUPAC name is 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID59868392
Molecular FormulaC10H8BrClN6O
Molecular Weight343.57 g/mol
Exact Mass341.96
IUPAC Name4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(Cl)nc(Br)cc21
InChIInChI=1S/C10H8BrClN6O/c1-2-18-4-3-5(11)14-8(12)6(4)15-10(18)7-9(13)17-19-16-7/h3H,2H2,1H3,(H2,13,17)
InChIKeyRCXFRPVYBOANFV-UHFFFAOYSA-N
XLogP2.50
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.57
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine (CID 59868392) is 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(Cl)nc(Br)cc21.
What is the InChIKey of 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is RCXFRPVYBOANFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN6O/c1-2-18-4-3-5(11)14-8(12)6(4)15-10(18)7-9(13)17-19-16-7/h3H,2H2,1H3,(H2,13,17).
What are the key properties of 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 343.57 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 59868392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).