(5-chloro-2-propan-2-ylindazol-3-yl)methanol

C11H13ClN2O — CID 84725614

IUPAC(5-chloro-2-propan-2-ylindazol-3-yl)methanol
SMILESCC(C)n1nc2ccc(Cl)cc2c1CO
InChIInChI=1S/C11H13ClN2O/c1-7(2)14-11(6-15)9-5-8(12)3-4-10(9)13-14/h3-5,7,15H,6H2,1-2H3
InChIKeyHJKYHAUIUMOZGF-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.76
Rot. Bonds2

About (5-chloro-2-propan-2-ylindazol-3-yl)methanol

(5-chloro-2-propan-2-ylindazol-3-yl)methanol (PubChem CID 84725614) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylindazol-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylindazol-3-yl)methanol
PubChem CID84725614
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(5-chloro-2-propan-2-ylindazol-3-yl)methanol
SMILESCC(C)n1nc2ccc(Cl)cc2c1CO
InChIInChI=1S/C11H13ClN2O/c1-7(2)14-11(6-15)9-5-8(12)3-4-10(9)13-14/h3-5,7,15H,6H2,1-2H3
InChIKeyHJKYHAUIUMOZGF-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol
CID 84724378
3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol
CID 84724516
(7-chloro-2-propan-2-ylindazol-3-yl)methanol
CID 84725616
5-chloro-1-propan-2-yl-3-propylindazole
CID 66838271
3,5-dichloro-2-ethylindazole
CID 84723698
2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
CID 84727595
3-bromo-5-chloro-2-ethylindazole
CID 84729523
methyl 5-chloro-2-methylindazole-3-carboxylate
CID 154725779
6-chloro-2-propan-2-ylindazole
CID 84720409
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid
CID 84726632
(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol
CID 125451461

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propan-2-ylindazol-3-yl)methanol?
The IUPAC name of (5-chloro-2-propan-2-ylindazol-3-yl)methanol (CID 84725614) is (5-chloro-2-propan-2-ylindazol-3-yl)methanol.
What is the SMILES notation for (5-chloro-2-propan-2-ylindazol-3-yl)methanol?
The canonical SMILES for (5-chloro-2-propan-2-ylindazol-3-yl)methanol is CC(C)n1nc2ccc(Cl)cc2c1CO.
What is the InChIKey of (5-chloro-2-propan-2-ylindazol-3-yl)methanol?
The InChIKey is HJKYHAUIUMOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(2)14-11(6-15)9-5-8(12)3-4-10(9)13-14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of (5-chloro-2-propan-2-ylindazol-3-yl)methanol?
(5-chloro-2-propan-2-ylindazol-3-yl)methanol has a molecular weight of 224.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propan-2-ylindazol-3-yl)methanol is sourced from PubChem (CID 84725614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).