3-chloro-5,6-dimethyl-2H-indazole

C9H9ClN2 — CID 130053419

IUPAC3-chloro-5,6-dimethyl-2H-indazole
SMILESCc1cc2n[nH]c(Cl)c2cc1C
InChIInChI=1S/C9H9ClN2/c1-5-3-7-8(4-6(5)2)11-12-9(7)10/h3-4H,1-2H3,(H,11,12)
InChIKeySAKOCRSJJHPSAF-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.83
Rot. Bonds

About 3-chloro-5,6-dimethyl-2H-indazole

3-chloro-5,6-dimethyl-2H-indazole (PubChem CID 130053419) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-2H-indazole.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-2H-indazole
PubChem CID130053419
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name3-chloro-5,6-dimethyl-2H-indazole
SMILESCc1cc2n[nH]c(Cl)c2cc1C
InChIInChI=1S/C9H9ClN2/c1-5-3-7-8(4-6(5)2)11-12-9(7)10/h3-4H,1-2H3,(H,11,12)
InChIKeySAKOCRSJJHPSAF-UHFFFAOYSA-N
XLogP2.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-3-iodo-5-methyl-2H-indazole
CID 74888467
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116
5-tert-butyl-3-chloro-2H-indazole
CID 89476377
3-chloro-5-(4-fluorobutylsulfonylmethyl)-6-methyl-2H-indazole
CID 161323792
3-chloro-5-propan-2-yl-2H-indazole
CID 89476289
6-chloro-5-methyl-2H-indazole-3-carbaldehyde
CID 82400732
2-(3-chloro-2H-indazol-5-yl)propan-2-amine
CID 117299675
1-(3-chloro-2H-indazol-5-yl)ethanone
CID 69031597
5-bromo-3-chloro-6-nitro-2H-indazole
CID 70680679
ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
3-(3-chloro-2H-indazol-5-yl)-N,N-dimethylprop-2-yn-1-amine
CID 165352780
3-iodo-6-methyl-2H-indazol-5-amine
CID 24729252

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-2H-indazole?
The IUPAC name of 3-chloro-5,6-dimethyl-2H-indazole (CID 130053419) is 3-chloro-5,6-dimethyl-2H-indazole.
What is the SMILES notation for 3-chloro-5,6-dimethyl-2H-indazole?
The canonical SMILES for 3-chloro-5,6-dimethyl-2H-indazole is Cc1cc2n[nH]c(Cl)c2cc1C.
What is the InChIKey of 3-chloro-5,6-dimethyl-2H-indazole?
The InChIKey is SAKOCRSJJHPSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-5-3-7-8(4-6(5)2)11-12-9(7)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 3-chloro-5,6-dimethyl-2H-indazole?
3-chloro-5,6-dimethyl-2H-indazole has a molecular weight of 180.64 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-2H-indazole is sourced from PubChem (CID 130053419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).