3-chloro-7-fluoro-2-propan-2-ylindazole

C10H10ClFN2 — CID 84723451

IUPAC3-chloro-7-fluoro-2-propan-2-ylindazole
SMILESCC(C)n1nc2c(F)cccc2c1Cl
InChIInChI=1S/C10H10ClFN2/c1-6(2)14-10(11)7-4-3-5-8(12)9(7)13-14/h3-6H,1-2H3
InChIKeyGHARFFIBAMCERJ-UHFFFAOYSA-N
MW212.66 g/mol
LogP3.41
Rot. Bonds1

About 3-chloro-7-fluoro-2-propan-2-ylindazole

3-chloro-7-fluoro-2-propan-2-ylindazole (PubChem CID 84723451) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 3-chloro-7-fluoro-2-propan-2-ylindazole.

Molecular Properties

Compound Name3-chloro-7-fluoro-2-propan-2-ylindazole
PubChem CID84723451
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name3-chloro-7-fluoro-2-propan-2-ylindazole
SMILESCC(C)n1nc2c(F)cccc2c1Cl
InChIInChI=1S/C10H10ClFN2/c1-6(2)14-10(11)7-4-3-5-8(12)9(7)13-14/h3-6H,1-2H3
InChIKeyGHARFFIBAMCERJ-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7-chloro-2-propan-2-ylindazole
CID 84730201
(7-chloro-2-propan-2-ylindazol-3-yl)methanol
CID 84725616
(7-chloro-2-propan-2-ylindazol-3-yl)methanamine
CID 84725346
4-chloro-8-fluoro-2,3-dimethylquinoline
CID 60994965
2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264526
(7-methyl-2-propan-2-ylindazol-3-yl)methanamine
CID 84721653
8-fluoro-2-methyl-4-propan-2-ylquinazoline
CID 139473937
7-bromo-3-chloro-2-methylindazole
CID 68614934
4-fluoro-2-propan-2-ylindazole-3-carbonitrile
CID 84721558
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
(4-chloro-8-fluorocinnolin-3-yl)methanamine
CID 83885596
2-(7-fluoro-2-methylindazol-3-yl)acetic acid
CID 84722582

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-fluoro-2-propan-2-ylindazole?
The IUPAC name of 3-chloro-7-fluoro-2-propan-2-ylindazole (CID 84723451) is 3-chloro-7-fluoro-2-propan-2-ylindazole.
What is the SMILES notation for 3-chloro-7-fluoro-2-propan-2-ylindazole?
The canonical SMILES for 3-chloro-7-fluoro-2-propan-2-ylindazole is CC(C)n1nc2c(F)cccc2c1Cl.
What is the InChIKey of 3-chloro-7-fluoro-2-propan-2-ylindazole?
The InChIKey is GHARFFIBAMCERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c1-6(2)14-10(11)7-4-3-5-8(12)9(7)13-14/h3-6H,1-2H3.
What are the key properties of 3-chloro-7-fluoro-2-propan-2-ylindazole?
3-chloro-7-fluoro-2-propan-2-ylindazole has a molecular weight of 212.66 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoro-2-propan-2-ylindazole is sourced from PubChem (CID 84723451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).