4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine

C12H12ClF2N3 — CID 19586191

IUPAC4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)Cl)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C12H12ClF2N3/c1-6-5-8(12(13,14)15)9-10(7-3-4-7)17-18(2)11(9)16-6/h5,7H,3-4H2,1-2H3
InChIKeyNFSWZQSKMVPODO-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.44
Rot. Bonds2

About 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine

4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 19586191) has the molecular formula C12H12ClF2N3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine
PubChem CID19586191
Molecular FormulaC12H12ClF2N3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)Cl)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C12H12ClF2N3/c1-6-5-8(12(13,14)15)9-10(7-3-4-7)17-18(2)11(9)16-6/h5,7H,3-4H2,1-2H3
InChIKeyNFSWZQSKMVPODO-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine (CID 19586191) is 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine is Cc1cc(C(F)(F)Cl)c2c(C3CC3)nn(C)c2n1.
What is the InChIKey of 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is NFSWZQSKMVPODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3/c1-6-5-8(12(13,14)15)9-10(7-3-4-7)17-18(2)11(9)16-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine?
4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 271.70 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 19586191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).