6,7-difluoro-4-methyl-1H-indole-2-carbonitrile

C10H6F2N2 — CID 135333311

IUPAC6,7-difluoro-4-methyl-1H-indole-2-carbonitrile
SMILESCc1cc(F)c(F)c2[nH]c(C#N)cc12
InChIInChI=1S/C10H6F2N2/c1-5-2-8(11)9(12)10-7(5)3-6(4-13)14-10/h2-3,14H,1H3
InChIKeyYTALFJOUZZMULY-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.63
Rot. Bonds

About 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile

6,7-difluoro-4-methyl-1H-indole-2-carbonitrile (PubChem CID 135333311) has the molecular formula C10H6F2N2 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name6,7-difluoro-4-methyl-1H-indole-2-carbonitrile
PubChem CID135333311
Molecular FormulaC10H6F2N2
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6,7-difluoro-4-methyl-1H-indole-2-carbonitrile
SMILESCc1cc(F)c(F)c2[nH]c(C#N)cc12
InChIInChI=1S/C10H6F2N2/c1-5-2-8(11)9(12)10-7(5)3-6(4-13)14-10/h2-3,14H,1H3
InChIKeyYTALFJOUZZMULY-UHFFFAOYSA-N
XLogP2.63
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
The IUPAC name of 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile (CID 135333311) is 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile.
What is the SMILES notation for 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
The canonical SMILES for 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile is Cc1cc(F)c(F)c2[nH]c(C#N)cc12.
What is the InChIKey of 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
The InChIKey is YTALFJOUZZMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2/c1-5-2-8(11)9(12)10-7(5)3-6(4-13)14-10/h2-3,14H,1H3.
What are the key properties of 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
6,7-difluoro-4-methyl-1H-indole-2-carbonitrile has a molecular weight of 192.17 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-methyl-1H-indole-2-carbonitrile is sourced from PubChem (CID 135333311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).