4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile

C13H4BrCl3N4 — CID 86697062

IUPAC4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile
SMILESN#Cc1cc(Cl)c(-n2cc3c(Br)ncc(Cl)c3n2)c(Cl)c1
InChIInChI=1S/C13H4BrCl3N4/c14-13-7-5-21(20-11(7)10(17)4-19-13)12-8(15)1-6(3-18)2-9(12)16/h1-2,4-5H
InChIKeyGYPFGWYTHIORPF-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.01
Rot. Bonds1

About 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile

4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile (PubChem CID 86697062) has the molecular formula C13H4BrCl3N4 and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile.

Molecular Properties

Compound Name4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile
PubChem CID86697062
Molecular FormulaC13H4BrCl3N4
Molecular Weight402.47 g/mol
Exact Mass399.87
IUPAC Name4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile
SMILESN#Cc1cc(Cl)c(-n2cc3c(Br)ncc(Cl)c3n2)c(Cl)c1
InChIInChI=1S/C13H4BrCl3N4/c14-13-7-5-21(20-11(7)10(17)4-19-13)12-8(15)1-6(3-18)2-9(12)16/h1-2,4-5H
InChIKeyGYPFGWYTHIORPF-UHFFFAOYSA-N
XLogP5.01
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.01
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

4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine
CID 86697074
N'-[(1Z)-1-[[7-bromo-2-(2,6-dichloro-4-cyanophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-methylbuta-1,3-dienyl]methanimidamide
CID 173324652
3,5-dichloro-4-(5-methylpyrazolo[4,3-c]pyridin-5-ium-2-yl)benzonitrile
CID 123819559
N'-[(1Z)-3-amino-1-[[2-(2,6-dichloro-4-cyanophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]amino]buta-1,3-dienyl]methanimidamide
CID 173324513
3-chloro-4-(3-methyl-1,2,4-triazol-1-yl)benzonitrile
CID 166607590
[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid
CID 118481203
3,4-dibromo-5-chlorobenzonitrile
CID 169336449
3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzonitrile
CID 167723783
3-bromo-4-chloroquinoline-6-carbonitrile
CID 22647192
3,5-dichloro-4-sulfanylbenzonitrile
CID 177238776
1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
CID 82292110
4-(2,2-dichlorocyclopropyl)-1-(2,4,6-trichlorophenyl)pyrazole-3-carbonitrile
CID 18699447

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile?
The IUPAC name of 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile (CID 86697062) is 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile.
What is the SMILES notation for 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile?
The canonical SMILES for 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile is N#Cc1cc(Cl)c(-n2cc3c(Br)ncc(Cl)c3n2)c(Cl)c1.
What is the InChIKey of 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile?
The InChIKey is GYPFGWYTHIORPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4BrCl3N4/c14-13-7-5-21(20-11(7)10(17)4-19-13)12-8(15)1-6(3-18)2-9(12)16/h1-2,4-5H.
What are the key properties of 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile?
4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile has a molecular weight of 402.47 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-7-chloropyrazolo[4,3-c]pyridin-2-yl)-3,5-dichlorobenzonitrile is sourced from PubChem (CID 86697062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).