7-fluoro-2-methyl-1H-indole-4-carbonitrile

C10H7FN2 — CID 130048520

IUPAC7-fluoro-2-methyl-1H-indole-4-carbonitrile
SMILESCc1cc2c(C#N)ccc(F)c2[nH]1
InChIInChI=1S/C10H7FN2/c1-6-4-8-7(5-12)2-3-9(11)10(8)13-6/h2-4,13H,1H3
InChIKeyASZHVBKHUCRYPD-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.49
Rot. Bonds

About 7-fluoro-2-methyl-1H-indole-4-carbonitrile

7-fluoro-2-methyl-1H-indole-4-carbonitrile (PubChem CID 130048520) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name7-fluoro-2-methyl-1H-indole-4-carbonitrile
PubChem CID130048520
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name7-fluoro-2-methyl-1H-indole-4-carbonitrile
SMILESCc1cc2c(C#N)ccc(F)c2[nH]1
InChIInChI=1S/C10H7FN2/c1-6-4-8-7(5-12)2-3-9(11)10(8)13-6/h2-4,13H,1H3
InChIKeyASZHVBKHUCRYPD-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1H-indole-4-carbonitrile?
The IUPAC name of 7-fluoro-2-methyl-1H-indole-4-carbonitrile (CID 130048520) is 7-fluoro-2-methyl-1H-indole-4-carbonitrile.
What is the SMILES notation for 7-fluoro-2-methyl-1H-indole-4-carbonitrile?
The canonical SMILES for 7-fluoro-2-methyl-1H-indole-4-carbonitrile is Cc1cc2c(C#N)ccc(F)c2[nH]1.
What is the InChIKey of 7-fluoro-2-methyl-1H-indole-4-carbonitrile?
The InChIKey is ASZHVBKHUCRYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c1-6-4-8-7(5-12)2-3-9(11)10(8)13-6/h2-4,13H,1H3.
What are the key properties of 7-fluoro-2-methyl-1H-indole-4-carbonitrile?
7-fluoro-2-methyl-1H-indole-4-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 7-fluoro-2-methyl-1H-indole-4-carbonitrile is sourced from PubChem (CID 130048520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).