6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole

C13H12ClN3 — CID 137253043

IUPAC6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole
SMILESCCn1nc(-c2ccc[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C13H12ClN3/c1-2-17-12-8-9(14)5-6-10(12)13(16-17)11-4-3-7-15-11/h3-8,15H,2H2,1H3
InChIKeyLMJRJCCVBYXCCO-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.70
Rot. Bonds2

About 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole

6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole (PubChem CID 137253043) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole.

Molecular Properties

Compound Name6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole
PubChem CID137253043
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole
SMILESCCn1nc(-c2ccc[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C13H12ClN3/c1-2-17-12-8-9(14)5-6-10(12)13(16-17)11-4-3-7-15-11/h3-8,15H,2H2,1H3
InChIKeyLMJRJCCVBYXCCO-UHFFFAOYSA-N
XLogP3.70
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole?
The IUPAC name of 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole (CID 137253043) is 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole.
What is the SMILES notation for 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole?
The canonical SMILES for 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole is CCn1nc(-c2ccc[nH]2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole?
The InChIKey is LMJRJCCVBYXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c1-2-17-12-8-9(14)5-6-10(12)13(16-17)11-4-3-7-15-11/h3-8,15H,2H2,1H3.
What are the key properties of 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole?
6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole has a molecular weight of 245.71 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole is sourced from PubChem (CID 137253043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).