4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine

C9H9ClFN3 — CID 175943862

IUPAC4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc2c(Cl)ncc(F)c2n1
InChIInChI=1S/C9H9ClFN3/c1-5(2)14-4-6-8(13-14)7(11)3-12-9(6)10/h3-5H,1-2H3
InChIKeySDTBJLYRORBSFB-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.80
Rot. Bonds1

About 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine

4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine (PubChem CID 175943862) has the molecular formula C9H9ClFN3 and a molecular weight of 213.64 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine
PubChem CID175943862
Molecular FormulaC9H9ClFN3
Molecular Weight213.64 g/mol
Exact Mass213.05
IUPAC Name4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc2c(Cl)ncc(F)c2n1
InChIInChI=1S/C9H9ClFN3/c1-5(2)14-4-6-8(13-14)7(11)3-12-9(6)10/h3-5H,1-2H3
InChIKeySDTBJLYRORBSFB-UHFFFAOYSA-N
XLogP2.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.80
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 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine?
The IUPAC name of 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine (CID 175943862) is 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine is CC(C)n1cc2c(Cl)ncc(F)c2n1.
What is the InChIKey of 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine?
The InChIKey is SDTBJLYRORBSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3/c1-5(2)14-4-6-8(13-14)7(11)3-12-9(6)10/h3-5H,1-2H3.
What are the key properties of 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine?
4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine has a molecular weight of 213.64 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175943862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).