5-bromo-4-chloro-2-ethylindazole-3-carbonitrile

C10H7BrClN3 — CID 149259464

IUPAC5-bromo-4-chloro-2-ethylindazole-3-carbonitrile
SMILESCCn1nc2ccc(Br)c(Cl)c2c1C#N
InChIInChI=1S/C10H7BrClN3/c1-2-15-8(5-13)9-7(14-15)4-3-6(11)10(9)12/h3-4H,2H2,1H3
InChIKeyXOYMGMNJWOATGW-UHFFFAOYSA-N
MW284.54 g/mol
LogP3.34
Rot. Bonds1

About 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile

5-bromo-4-chloro-2-ethylindazole-3-carbonitrile (PubChem CID 149259464) has the molecular formula C10H7BrClN3 and a molecular weight of 284.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethylindazole-3-carbonitrile
PubChem CID149259464
Molecular FormulaC10H7BrClN3
Molecular Weight284.54 g/mol
Exact Mass282.95
IUPAC Name5-bromo-4-chloro-2-ethylindazole-3-carbonitrile
SMILESCCn1nc2ccc(Br)c(Cl)c2c1C#N
InChIInChI=1S/C10H7BrClN3/c1-2-15-8(5-13)9-7(14-15)4-3-6(11)10(9)12/h3-4H,2H2,1H3
InChIKeyXOYMGMNJWOATGW-UHFFFAOYSA-N
XLogP3.34
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2,3-dimethyl-2H-indazole
CID 11499567
6-bromo-3-chloro-2-methyl-2H-indazole
CID 72221028
5-bromo-3-chloro-2-methyl-2H-indazole
CID 72221029
5-Bromo-3-chloro-4-fluoro-2-methyl-2H-indazole
CID 146307683
5-Bromo-4-chloro-7-fluoro-2-methylindazole
CID 146307835
5-Bromo-4-chloro-2-(fluoromethyl)indazole
CID 146307863
5-Bromo-4-chloro-2-ethyl-3-fluoroindazole
CID 146307953
5-Bromo-3,4-dichloro-2-(fluoromethyl)indazole
CID 146308000
5-Bromo-3-chloro-2-ethyl-4-fluoroindazole
CID 152294071
5-Bromo-4-chloro-2-(difluoromethyl)indazole
CID 164860271
5-Bromo-4-chloro-3-fluoro-2-methylindazole
CID 164860407
5-Bromo-4-chloro-1-(difluoromethyl)indazole
CID 164860445

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile?
The IUPAC name of 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile (CID 149259464) is 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile?
The canonical SMILES for 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile is CCn1nc2ccc(Br)c(Cl)c2c1C#N.
What is the InChIKey of 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile?
The InChIKey is XOYMGMNJWOATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3/c1-2-15-8(5-13)9-7(14-15)4-3-6(11)10(9)12/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile?
5-bromo-4-chloro-2-ethylindazole-3-carbonitrile has a molecular weight of 284.54 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethylindazole-3-carbonitrile is sourced from PubChem (CID 149259464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).