6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine

C8H6ClF2N3 — CID 25248227

IUPAC6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine
SMILESCn1cc2c(C(F)F)cc(Cl)nc2n1
InChIInChI=1S/C8H6ClF2N3/c1-14-3-5-4(7(10)11)2-6(9)12-8(5)13-14/h2-3,7H,1H3
InChIKeyZGIPSGLHVTYXQR-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.56
Rot. Bonds1

About 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine

6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine (PubChem CID 25248227) has the molecular formula C8H6ClF2N3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine
PubChem CID25248227
Molecular FormulaC8H6ClF2N3
Molecular Weight217.61 g/mol
Exact Mass217.02
IUPAC Name6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine
SMILESCn1cc2c(C(F)F)cc(Cl)nc2n1
InChIInChI=1S/C8H6ClF2N3/c1-14-3-5-4(7(10)11)2-6(9)12-8(5)13-14/h2-3,7H,1H3
InChIKeyZGIPSGLHVTYXQR-UHFFFAOYSA-N
XLogP2.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine (CID 25248227) is 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine is Cn1cc2c(C(F)F)cc(Cl)nc2n1.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine?
The InChIKey is ZGIPSGLHVTYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3/c1-14-3-5-4(7(10)11)2-6(9)12-8(5)13-14/h2-3,7H,1H3.
What are the key properties of 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine?
6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine has a molecular weight of 217.61 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 25248227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).