1-(2-chloro-6-methylphenyl)indazole

C14H11ClN2 — CID 117063200

IUPAC1-(2-chloro-6-methylphenyl)indazole
SMILESCc1cccc(Cl)c1-n1ncc2ccccc21
InChIInChI=1S/C14H11ClN2/c1-10-5-4-7-12(15)14(10)17-13-8-3-2-6-11(13)9-16-17/h2-9H,1H3
InChIKeyPVAPSHFCWWUSKQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.99
Rot. Bonds1

About 1-(2-chloro-6-methylphenyl)indazole

1-(2-chloro-6-methylphenyl)indazole (PubChem CID 117063200) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)indazole.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)indazole
PubChem CID117063200
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name1-(2-chloro-6-methylphenyl)indazole
SMILESCc1cccc(Cl)c1-n1ncc2ccccc21
InChIInChI=1S/C14H11ClN2/c1-10-5-4-7-12(15)14(10)17-13-8-3-2-6-11(13)9-16-17/h2-9H,1H3
InChIKeyPVAPSHFCWWUSKQ-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-indazol-1-ylbenzaldehyde
CID 114067193
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole
CID 63730381
4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine
CID 103553587
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
1-[(2,6-dichlorophenyl)methoxy]indazole
CID 141466296
2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide
CID 76945039
(4-indazol-1-yl-2-methylphenyl)methanamine
CID 55038931
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
CID 81060210
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66253533
4-indazol-1-yl-5-methylpyrimidin-2-amine
CID 80856893
4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine
CID 68994880
(5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
CID 62142478

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)indazole?
The IUPAC name of 1-(2-chloro-6-methylphenyl)indazole (CID 117063200) is 1-(2-chloro-6-methylphenyl)indazole.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)indazole?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)indazole is Cc1cccc(Cl)c1-n1ncc2ccccc21.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)indazole?
The InChIKey is PVAPSHFCWWUSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-5-4-7-12(15)14(10)17-13-8-3-2-6-11(13)9-16-17/h2-9H,1H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)indazole?
1-(2-chloro-6-methylphenyl)indazole has a molecular weight of 242.71 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)indazole is sourced from PubChem (CID 117063200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).