7-chloro-1H-indazole-5-carbonitrile

C8H4ClN3 — CID 66920531

IUPAC7-chloro-1H-indazole-5-carbonitrile
SMILESN#Cc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C8H4ClN3/c9-7-2-5(3-10)1-6-4-11-12-8(6)7/h1-2,4H,(H,11,12)
InChIKeyRVEABSZATGDAHO-UHFFFAOYSA-N
MW177.59 g/mol
LogP2.09
Rot. Bonds

About 7-chloro-1H-indazole-5-carbonitrile

7-chloro-1H-indazole-5-carbonitrile (PubChem CID 66920531) has the molecular formula C8H4ClN3 and a molecular weight of 177.59 g/mol. Its IUPAC name is 7-chloro-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name7-chloro-1H-indazole-5-carbonitrile
PubChem CID66920531
Molecular FormulaC8H4ClN3
Molecular Weight177.59 g/mol
Exact Mass177.01
IUPAC Name7-chloro-1H-indazole-5-carbonitrile
SMILESN#Cc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C8H4ClN3/c9-7-2-5(3-10)1-6-4-11-12-8(6)7/h1-2,4H,(H,11,12)
InChIKeyRVEABSZATGDAHO-UHFFFAOYSA-N
XLogP2.09
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indazole, 5-chloro-
CID 69681
7-Chloro-1H-indazole
CID 11116249
1H-Indazole-7-carbonitrile
CID 25022685
1H-Indazole-5-carbonitrile
CID 11126384
5-(2-chlorophenyl)-1H-indazole
CID 90645441
5,7-Dimethyl-1H-indazole
CID 589751
5-chloro-1H-indazol-6-amine
CID 19354418
2-(1H-indazol-5-yl)acetonitrile
CID 55267181
7-chloro-1H-indazol-5-amine
CID 55277996
6,7-dichloro-1H-indazole
CID 72218749
5-chloro-1H-indazole-6-carbonitrile
CID 130063115
5-(chloromethyl)-1H-indazole hydrochloride
CID 72710304

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-indazole-5-carbonitrile?
The IUPAC name of 7-chloro-1H-indazole-5-carbonitrile (CID 66920531) is 7-chloro-1H-indazole-5-carbonitrile.
What is the SMILES notation for 7-chloro-1H-indazole-5-carbonitrile?
The canonical SMILES for 7-chloro-1H-indazole-5-carbonitrile is N#Cc1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 7-chloro-1H-indazole-5-carbonitrile?
The InChIKey is RVEABSZATGDAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3/c9-7-2-5(3-10)1-6-4-11-12-8(6)7/h1-2,4H,(H,11,12).
What are the key properties of 7-chloro-1H-indazole-5-carbonitrile?
7-chloro-1H-indazole-5-carbonitrile has a molecular weight of 177.59 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-indazole-5-carbonitrile is sourced from PubChem (CID 66920531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).