2-(4-fluoro-2-methylindazol-3-yl)acetonitrile

C10H8FN3 — CID 84719231

IUPAC2-(4-fluoro-2-methylindazol-3-yl)acetonitrile
SMILESCn1nc2cccc(F)c2c1CC#N
InChIInChI=1S/C10H8FN3/c1-14-9(5-6-12)10-7(11)3-2-4-8(10)13-14/h2-4H,5H2,1H3
InChIKeySJUHWDOMFZPDME-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.78
Rot. Bonds1

About 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile

2-(4-fluoro-2-methylindazol-3-yl)acetonitrile (PubChem CID 84719231) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-methylindazol-3-yl)acetonitrile
PubChem CID84719231
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name2-(4-fluoro-2-methylindazol-3-yl)acetonitrile
SMILESCn1nc2cccc(F)c2c1CC#N
InChIInChI=1S/C10H8FN3/c1-14-9(5-6-12)10-7(11)3-2-4-8(10)13-14/h2-4H,5H2,1H3
InChIKeySJUHWDOMFZPDME-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methylindazol-3-yl)methanamine
CID 84718090
2-ethyl-4-fluoroindazole-3-carbonitrile
CID 84719232
1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine
CID 84724778
4-fluoro-2-propan-2-ylindazole-3-carbonitrile
CID 84721558
4-fluoro-2-methylindazole-3-carboximidamide
CID 84719847
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
2-(3-bromo-1-methylindazol-4-yl)acetonitrile
CID 84803860
3-[1-[[4-(cyanomethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118171775
N-methyl-1-(2-methylindazol-3-yl)methanamine
CID 84717612
4,5-dichloro-2-methylindazole-3-carbonitrile;ethane
CID 170759841
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
2-[5-(cyanomethyl)-1-methylpyrrol-2-yl]acetonitrile
CID 68738968

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile?
The IUPAC name of 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile (CID 84719231) is 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile?
The canonical SMILES for 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile is Cn1nc2cccc(F)c2c1CC#N.
What is the InChIKey of 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile?
The InChIKey is SJUHWDOMFZPDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c1-14-9(5-6-12)10-7(11)3-2-4-8(10)13-14/h2-4H,5H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile?
2-(4-fluoro-2-methylindazol-3-yl)acetonitrile has a molecular weight of 189.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylindazol-3-yl)acetonitrile is sourced from PubChem (CID 84719231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).