2-ethyl-4-fluoroindazole-3-carbonitrile

C10H8FN3 — CID 84719232

IUPAC2-ethyl-4-fluoroindazole-3-carbonitrile
SMILESCCn1nc2cccc(F)c2c1C#N
InChIInChI=1S/C10H8FN3/c1-2-14-9(6-12)10-7(11)4-3-5-8(10)13-14/h3-5H,2H2,1H3
InChIKeyIQHDSNROIMENQW-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.07
Rot. Bonds1

About 2-ethyl-4-fluoroindazole-3-carbonitrile

2-ethyl-4-fluoroindazole-3-carbonitrile (PubChem CID 84719232) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-ethyl-4-fluoroindazole-3-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4-fluoroindazole-3-carbonitrile
PubChem CID84719232
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name2-ethyl-4-fluoroindazole-3-carbonitrile
SMILESCCn1nc2cccc(F)c2c1C#N
InChIInChI=1S/C10H8FN3/c1-2-14-9(6-12)10-7(11)4-3-5-8(10)13-14/h3-5H,2H2,1H3
InChIKeyIQHDSNROIMENQW-UHFFFAOYSA-N
XLogP2.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-propan-2-ylindazole-3-carbonitrile
CID 84721558
2-(4-fluoro-2-methylindazol-3-yl)acetonitrile
CID 84719231
3,4-dichloro-2-ethylindazole
CID 84723697
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
2-(2-ethyl-3-methylindazol-4-yl)ethanamine
CID 84721665
(5-fluoro-4-methylquinazolin-2-yl)methanol
CID 177177290
(4-fluoro-2-methylindazol-3-yl)methanamine
CID 84718090
1-(4-chloro-2-ethylindazol-3-yl)-N-methylmethanamine
CID 84725341
1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine
CID 84724778
5-amino-1-ethyl-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100761997
3,4,5-trifluoro-2-methylquinoline
CID 54570448
2-ethyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105432065

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoroindazole-3-carbonitrile?
The IUPAC name of 2-ethyl-4-fluoroindazole-3-carbonitrile (CID 84719232) is 2-ethyl-4-fluoroindazole-3-carbonitrile.
What is the SMILES notation for 2-ethyl-4-fluoroindazole-3-carbonitrile?
The canonical SMILES for 2-ethyl-4-fluoroindazole-3-carbonitrile is CCn1nc2cccc(F)c2c1C#N.
What is the InChIKey of 2-ethyl-4-fluoroindazole-3-carbonitrile?
The InChIKey is IQHDSNROIMENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c1-2-14-9(6-12)10-7(11)4-3-5-8(10)13-14/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-4-fluoroindazole-3-carbonitrile?
2-ethyl-4-fluoroindazole-3-carbonitrile has a molecular weight of 189.19 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoroindazole-3-carbonitrile is sourced from PubChem (CID 84719232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).