5-fluoro-1-methylindole-7-carbonitrile

C10H7FN2 — CID 146382896

IUPAC5-fluoro-1-methylindole-7-carbonitrile
SMILESCn1ccc2cc(F)cc(C#N)c21
InChIInChI=1S/C10H7FN2/c1-13-3-2-7-4-9(11)5-8(6-12)10(7)13/h2-5H,1H3
InChIKeyBSQFFKBCYDZKPI-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.19
Rot. Bonds

About 5-fluoro-1-methylindole-7-carbonitrile

5-fluoro-1-methylindole-7-carbonitrile (PubChem CID 146382896) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 5-fluoro-1-methylindole-7-carbonitrile.

Molecular Properties

Compound Name5-fluoro-1-methylindole-7-carbonitrile
PubChem CID146382896
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name5-fluoro-1-methylindole-7-carbonitrile
SMILESCn1ccc2cc(F)cc(C#N)c21
InChIInChI=1S/C10H7FN2/c1-13-3-2-7-4-9(11)5-8(6-12)10(7)13/h2-5H,1H3
InChIKeyBSQFFKBCYDZKPI-UHFFFAOYSA-N
XLogP2.19
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-fluoroindole-7-carbonitrile
CID 146488174
8,20-dimethyl-8,20-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene-7-carbonitrile
CID 58411190
7-chloro-6-fluoro-1,5-dimethylindole
CID 129149052
2-(aminomethyl)-1-methylpyrrole-3-carbonitrile
CID 23301351
2,3,5-trifluorobenzonitrile
CID 2776998
1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindole-7-carbonitrile
CID 67213723
5-fluoro-2-methyl-1H-indole-7-carbonitrile
CID 130063688
5-fluoro-3-hydroxy-2-methylbenzonitrile
CID 86715311
2,5-difluoro-3-methylsulfanylbenzonitrile
CID 117280034
2-chloro-6-fluoroquinoline-8-carbonitrile
CID 154728078
4,6-difluoro-1,7-dimethylindole
CID 129149035
5-fluoro-2-iodobenzonitrile
CID 34175641

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylindole-7-carbonitrile?
The IUPAC name of 5-fluoro-1-methylindole-7-carbonitrile (CID 146382896) is 5-fluoro-1-methylindole-7-carbonitrile.
What is the SMILES notation for 5-fluoro-1-methylindole-7-carbonitrile?
The canonical SMILES for 5-fluoro-1-methylindole-7-carbonitrile is Cn1ccc2cc(F)cc(C#N)c21.
What is the InChIKey of 5-fluoro-1-methylindole-7-carbonitrile?
The InChIKey is BSQFFKBCYDZKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c1-13-3-2-7-4-9(11)5-8(6-12)10(7)13/h2-5H,1H3.
What are the key properties of 5-fluoro-1-methylindole-7-carbonitrile?
5-fluoro-1-methylindole-7-carbonitrile has a molecular weight of 174.18 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylindole-7-carbonitrile is sourced from PubChem (CID 146382896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).