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

C11H13ClN2O — CID 84725616

IUPAC(7-chloro-2-propan-2-ylindazol-3-yl)methanol
SMILESCC(C)n1nc2c(Cl)cccc2c1CO
InChIInChI=1S/C11H13ClN2O/c1-7(2)14-10(6-15)8-4-3-5-9(12)11(8)13-14/h3-5,7,15H,6H2,1-2H3
InChIKeyJOVDMNZWHYVQLZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.76
Rot. Bonds2

About (7-chloro-2-propan-2-ylindazol-3-yl)methanol

(7-chloro-2-propan-2-ylindazol-3-yl)methanol (PubChem CID 84725616) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (7-chloro-2-propan-2-ylindazol-3-yl)methanol.

Molecular Properties

Compound Name(7-chloro-2-propan-2-ylindazol-3-yl)methanol
PubChem CID84725616
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(7-chloro-2-propan-2-ylindazol-3-yl)methanol
SMILESCC(C)n1nc2c(Cl)cccc2c1CO
InChIInChI=1S/C11H13ClN2O/c1-7(2)14-10(6-15)8-4-3-5-9(12)11(8)13-14/h3-5,7,15H,6H2,1-2H3
InChIKeyJOVDMNZWHYVQLZ-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

(7-chloro-2-propan-2-ylindazol-3-yl)methanamine
CID 84725346
3-bromo-7-chloro-2-propan-2-ylindazole
CID 84730201
(7-methyl-2-propan-2-ylindazol-3-yl)methanamine
CID 84721653
(5-chloro-2-propan-2-ylindazol-3-yl)methanol
CID 84725614
3-chloro-7-fluoro-2-propan-2-ylindazole
CID 84723451
2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
CID 84727595
(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639808
1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
CID 115547874
7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150906
2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol
CID 84724378

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-propan-2-ylindazol-3-yl)methanol?
The IUPAC name of (7-chloro-2-propan-2-ylindazol-3-yl)methanol (CID 84725616) is (7-chloro-2-propan-2-ylindazol-3-yl)methanol.
What is the SMILES notation for (7-chloro-2-propan-2-ylindazol-3-yl)methanol?
The canonical SMILES for (7-chloro-2-propan-2-ylindazol-3-yl)methanol is CC(C)n1nc2c(Cl)cccc2c1CO.
What is the InChIKey of (7-chloro-2-propan-2-ylindazol-3-yl)methanol?
The InChIKey is JOVDMNZWHYVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(2)14-10(6-15)8-4-3-5-9(12)11(8)13-14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of (7-chloro-2-propan-2-ylindazol-3-yl)methanol?
(7-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 (7-chloro-2-propan-2-ylindazol-3-yl)methanol is sourced from PubChem (CID 84725616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).