4,5,7-trifluoro-6-methoxy-2-methylindazole

C9H7F3N2O — CID 135016613

IUPAC4,5,7-trifluoro-6-methoxy-2-methylindazole
SMILESCOc1c(F)c(F)c2cn(C)nc2c1F
InChIInChI=1S/C9H7F3N2O/c1-14-3-4-5(10)6(11)9(15-2)7(12)8(4)13-14/h3H,1-2H3
InChIKeyAWNQSRXVAPQKCX-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.00
Rot. Bonds1

About 4,5,7-trifluoro-6-methoxy-2-methylindazole

4,5,7-trifluoro-6-methoxy-2-methylindazole (PubChem CID 135016613) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 4,5,7-trifluoro-6-methoxy-2-methylindazole.

Molecular Properties

Compound Name4,5,7-trifluoro-6-methoxy-2-methylindazole
PubChem CID135016613
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name4,5,7-trifluoro-6-methoxy-2-methylindazole
SMILESCOc1c(F)c(F)c2cn(C)nc2c1F
InChIInChI=1S/C9H7F3N2O/c1-14-3-4-5(10)6(11)9(15-2)7(12)8(4)13-14/h3H,1-2H3
InChIKeyAWNQSRXVAPQKCX-UHFFFAOYSA-N
XLogP2.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
2H-Indazole, 2-(3-methoxyphenyl)-
CID 3067342
6-methoxy-2-methyl-2H-indazol-5-amine
CID 117110287
7-fluoro-6-methoxy-1H-indazole
CID 119006359
4,5,7-Trifluoro-6-methoxy-2-methylindazol-3-amine
CID 135040884
1-(3-Methoxyphenyl)-1H-indazole
CID 11253079
1-(p-Anisyl) indazole
CID 44238326
2-(4-methoxybenzyl)-2H-indazole
CID 44238330
2-Ethyl-5,6-dimethoxyindazole
CID 54463290
1-Methyl-6-(4,4,4-trifluorobutoxy)indazole
CID 57202317
3-Tert-butyl-6-(difluoromethoxy)-1-methylindazole
CID 58088004
6-Fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine
CID 66611436

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trifluoro-6-methoxy-2-methylindazole?
The IUPAC name of 4,5,7-trifluoro-6-methoxy-2-methylindazole (CID 135016613) is 4,5,7-trifluoro-6-methoxy-2-methylindazole.
What is the SMILES notation for 4,5,7-trifluoro-6-methoxy-2-methylindazole?
The canonical SMILES for 4,5,7-trifluoro-6-methoxy-2-methylindazole is COc1c(F)c(F)c2cn(C)nc2c1F.
What is the InChIKey of 4,5,7-trifluoro-6-methoxy-2-methylindazole?
The InChIKey is AWNQSRXVAPQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-14-3-4-5(10)6(11)9(15-2)7(12)8(4)13-14/h3H,1-2H3.
What are the key properties of 4,5,7-trifluoro-6-methoxy-2-methylindazole?
4,5,7-trifluoro-6-methoxy-2-methylindazole has a molecular weight of 216.16 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trifluoro-6-methoxy-2-methylindazole is sourced from PubChem (CID 135016613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).