7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine

C12H5BrClFN4O2 — CID 155319263

IUPAC7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc3nc(Cl)cc(Br)c3n2)c(F)c1
InChIInChI=1S/C12H5BrClFN4O2/c13-7-4-11(14)16-9-5-18(17-12(7)9)10-2-1-6(19(20)21)3-8(10)15/h1-5H
InChIKeyLDDYJCSHBPBZFZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.88
Rot. Bonds2

About 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine

7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine (PubChem CID 155319263) has the molecular formula C12H5BrClFN4O2 and a molecular weight of 371.55 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine
PubChem CID155319263
Molecular FormulaC12H5BrClFN4O2
Molecular Weight371.55 g/mol
Exact Mass369.93
IUPAC Name7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc3nc(Cl)cc(Br)c3n2)c(F)c1
InChIInChI=1S/C12H5BrClFN4O2/c13-7-4-11(14)16-9-5-18(17-12(7)9)10-2-1-6(19(20)21)3-8(10)15/h1-5H
InChIKeyLDDYJCSHBPBZFZ-UHFFFAOYSA-N
XLogP3.88
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine
CID 177321353
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
1-(2-fluoro-4-nitrophenyl)triazole-4-carbaldehyde
CID 66215024
2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole
CID 171574160
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
CID 132586316
8-bromo-2-chloro-6-nitroquinoline
CID 170331788
1-(2-fluoro-4-nitrophenyl)pyridin-4-one
CID 86185931
methyl 2-(2-fluoro-4-nitrophenyl)-4-phenylindazole-6-carboxylate
CID 155325115
CID 175950759
CID 175950759
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
CID 141075149

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine (CID 155319263) is 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine is O=[N+]([O-])c1ccc(-n2cc3nc(Cl)cc(Br)c3n2)c(F)c1.
What is the InChIKey of 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine?
The InChIKey is LDDYJCSHBPBZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFN4O2/c13-7-4-11(14)16-9-5-18(17-12(7)9)10-2-1-6(19(20)21)3-8(10)15/h1-5H.
What are the key properties of 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine?
7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine has a molecular weight of 371.55 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 155319263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).