3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine

C8H7Cl2N3O — CID 178139480

IUPAC3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine
SMILESCOc1cc2c(nc1Cl)c(Cl)nn2C
InChIInChI=1S/C8H7Cl2N3O/c1-13-4-3-5(14-2)7(9)11-6(4)8(10)12-13/h3H,1-2H3
InChIKeyNPCODKMTPDGDOH-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.28
Rot. Bonds1

About 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine

3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine (PubChem CID 178139480) has the molecular formula C8H7Cl2N3O and a molecular weight of 232.07 g/mol. Its IUPAC name is 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine
PubChem CID178139480
Molecular FormulaC8H7Cl2N3O
Molecular Weight232.07 g/mol
Exact Mass231.00
IUPAC Name3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine
SMILESCOc1cc2c(nc1Cl)c(Cl)nn2C
InChIInChI=1S/C8H7Cl2N3O/c1-13-4-3-5(14-2)7(9)11-6(4)8(10)12-13/h3H,1-2H3
InChIKeyNPCODKMTPDGDOH-UHFFFAOYSA-N
XLogP2.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.28
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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Related Compounds

5-bromo-3-chloro-6-fluoro-1-methylpyrazolo[4,3-b]pyridine
CID 178139844
6-bromo-3-chloro-1-methylpyrazolo[4,3-b]pyridine
CID 84728732
8-bromo-2-chloro-3-methoxyquinoline
CID 88869143
5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
CID 164758234
2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
CID 117246675
6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine
CID 90135351
6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 175964551
6-fluoro-3-methoxy-1,5-dimethylpyrazolo[4,3-b]pyridine
CID 178139826
(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
CID 130691517
5-tert-butyl-3-chloro-1-methylindazole
CID 169058983
4-methoxy-2,6-dimethylpyridazin-3-one
CID 139521587
6-chloro-3-(difluoromethyl)-5-methoxypyridin-2-amine
CID 130102532

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine?
The IUPAC name of 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine (CID 178139480) is 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine is COc1cc2c(nc1Cl)c(Cl)nn2C.
What is the InChIKey of 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine?
The InChIKey is NPCODKMTPDGDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O/c1-13-4-3-5(14-2)7(9)11-6(4)8(10)12-13/h3H,1-2H3.
What are the key properties of 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine?
3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine has a molecular weight of 232.07 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 178139480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).