4-(fluoromethyl)-1-methylindazole

C9H9FN2 — CID 84651809

IUPAC4-(fluoromethyl)-1-methylindazole
SMILESCn1ncc2c(CF)cccc21
InChIInChI=1S/C9H9FN2/c1-12-9-4-2-3-7(5-10)8(9)6-11-12/h2-4,6H,5H2,1H3
InChIKeyFLYYNQPMCZAKCO-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.04
Rot. Bonds1

About 4-(fluoromethyl)-1-methylindazole

4-(fluoromethyl)-1-methylindazole (PubChem CID 84651809) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methylindazole.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methylindazole
PubChem CID84651809
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name4-(fluoromethyl)-1-methylindazole
SMILESCn1ncc2c(CF)cccc21
InChIInChI=1S/C9H9FN2/c1-12-9-4-2-3-7(5-10)8(9)6-11-12/h2-4,6H,5H2,1H3
InChIKeyFLYYNQPMCZAKCO-UHFFFAOYSA-N
XLogP2.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-1-methylindazole
CID 134383206
1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole
CID 168918626
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469
1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole
CID 134379965
2-amino-1-(1-methylindazol-4-yl)ethanone
CID 131191051
1-chloro-2-(1-methylindazol-4-yl)hydrazine
CID 88866693
(4-chloro-1-methylindazol-5-yl)methanamine
CID 82505519
1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
CID 22337656
1-methyl-4-phenylmethoxyindazole
CID 143030970
(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine
CID 137308281
5,5-dimethyl-2-[(1-methylindazol-4-yl)methylamino]hexanoic acid
CID 175558811
1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea
CID 167915157

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methylindazole?
The IUPAC name of 4-(fluoromethyl)-1-methylindazole (CID 84651809) is 4-(fluoromethyl)-1-methylindazole.
What is the SMILES notation for 4-(fluoromethyl)-1-methylindazole?
The canonical SMILES for 4-(fluoromethyl)-1-methylindazole is Cn1ncc2c(CF)cccc21.
What is the InChIKey of 4-(fluoromethyl)-1-methylindazole?
The InChIKey is FLYYNQPMCZAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-12-9-4-2-3-7(5-10)8(9)6-11-12/h2-4,6H,5H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-methylindazole?
4-(fluoromethyl)-1-methylindazole has a molecular weight of 164.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methylindazole is sourced from PubChem (CID 84651809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).