5-fluoro-2-methyl-1H-indole-7-carbonitrile

C10H7FN2 — CID 130063688

IUPAC5-fluoro-2-methyl-1H-indole-7-carbonitrile
SMILESCc1cc2cc(F)cc(C#N)c2[nH]1
InChIInChI=1S/C10H7FN2/c1-6-2-7-3-9(11)4-8(5-12)10(7)13-6/h2-4,13H,1H3
InChIKeyWDYKLURUQLDWOD-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.49
Rot. Bonds

About 5-fluoro-2-methyl-1H-indole-7-carbonitrile

5-fluoro-2-methyl-1H-indole-7-carbonitrile (PubChem CID 130063688) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-methyl-1H-indole-7-carbonitrile
PubChem CID130063688
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name5-fluoro-2-methyl-1H-indole-7-carbonitrile
SMILESCc1cc2cc(F)cc(C#N)c2[nH]1
InChIInChI=1S/C10H7FN2/c1-6-2-7-3-9(11)4-8(5-12)10(7)13-6/h2-4,13H,1H3
InChIKeyWDYKLURUQLDWOD-UHFFFAOYSA-N
XLogP2.49
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-2-methyl-1H-indole-4-carbonitrile
CID 130048520
5-fluoro-3-hydroxy-2-methylbenzonitrile
CID 86715311
2-chloro-6-fluoroquinoline-8-carbonitrile
CID 154728078
5-bromo-6,7-difluoro-2-methyl-1H-indole
CID 118989892
2-tert-butyl-5-fluoro-7-methyl-1H-indole
CID 65337961
2,3,5-trifluorobenzonitrile
CID 2776998
2-tert-butyl-5-methyl-1H-pyrrole-3-carbonitrile
CID 53254564
2,5-difluoro-3-methylsulfanylbenzonitrile
CID 117280034
5-fluoro-1-methylindole-7-carbonitrile
CID 146382896
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
2-methyl-4-[4-(trifluoromethyl)phenyl]sulfanyl-1H-indole-7-carbonitrile
CID 175588173
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1H-indole-7-carbonitrile?
The IUPAC name of 5-fluoro-2-methyl-1H-indole-7-carbonitrile (CID 130063688) is 5-fluoro-2-methyl-1H-indole-7-carbonitrile.
What is the SMILES notation for 5-fluoro-2-methyl-1H-indole-7-carbonitrile?
The canonical SMILES for 5-fluoro-2-methyl-1H-indole-7-carbonitrile is Cc1cc2cc(F)cc(C#N)c2[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-1H-indole-7-carbonitrile?
The InChIKey is WDYKLURUQLDWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c1-6-2-7-3-9(11)4-8(5-12)10(7)13-6/h2-4,13H,1H3.
What are the key properties of 5-fluoro-2-methyl-1H-indole-7-carbonitrile?
5-fluoro-2-methyl-1H-indole-7-carbonitrile has a molecular weight of 174.18 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1H-indole-7-carbonitrile is sourced from PubChem (CID 130063688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).