6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine

C14H11ClFN3O — CID 170553761

IUPAC6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine
SMILESCOc1ccc(F)cc1-n1nc(C)c2cnc(Cl)cc21
InChIInChI=1S/C14H11ClFN3O/c1-8-10-7-17-14(15)6-11(10)19(18-8)12-5-9(16)3-4-13(12)20-2/h3-7H,1-2H3
InChIKeyLRJHJJAKYWUXQC-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.53
Rot. Bonds2

About 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine

6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine (PubChem CID 170553761) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine
PubChem CID170553761
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine
SMILESCOc1ccc(F)cc1-n1nc(C)c2cnc(Cl)cc21
InChIInChI=1S/C14H11ClFN3O/c1-8-10-7-17-14(15)6-11(10)19(18-8)12-5-9(16)3-4-13(12)20-2/h3-7H,1-2H3
InChIKeyLRJHJJAKYWUXQC-UHFFFAOYSA-N
XLogP3.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine (CID 170553761) is 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine is COc1ccc(F)cc1-n1nc(C)c2cnc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine?
The InChIKey is LRJHJJAKYWUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c1-8-10-7-17-14(15)6-11(10)19(18-8)12-5-9(16)3-4-13(12)20-2/h3-7H,1-2H3.
What are the key properties of 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine?
6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine has a molecular weight of 291.71 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(5-fluoro-2-methoxyphenyl)-3-methylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170553761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).