5,7-difluoro-4-methyl-1H-indole-2-carbonitrile

C10H6F2N2 — CID 145311742

IUPAC5,7-difluoro-4-methyl-1H-indole-2-carbonitrile
SMILESCc1c(F)cc(F)c2[nH]c(C#N)cc12
InChIInChI=1S/C10H6F2N2/c1-5-7-2-6(4-13)14-10(7)9(12)3-8(5)11/h2-3,14H,1H3
InChIKeyAGMKTCJFAGVIMK-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.63
Rot. Bonds

About 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile

5,7-difluoro-4-methyl-1H-indole-2-carbonitrile (PubChem CID 145311742) has the molecular formula C10H6F2N2 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name5,7-difluoro-4-methyl-1H-indole-2-carbonitrile
PubChem CID145311742
Molecular FormulaC10H6F2N2
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5,7-difluoro-4-methyl-1H-indole-2-carbonitrile
SMILESCc1c(F)cc(F)c2[nH]c(C#N)cc12
InChIInChI=1S/C10H6F2N2/c1-5-7-2-6(4-13)14-10(7)9(12)3-8(5)11/h2-3,14H,1H3
InChIKeyAGMKTCJFAGVIMK-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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Related Compounds

6,7-difluoro-4-methyl-1H-indole-2-carbonitrile
CID 135333311
6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165453256
5-fluoro-4-hydroxy-1H-indole-2-carbonitrile
CID 131591641
7-fluoro-2-methyl-1H-indole-4-carbonitrile
CID 130048520
4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
CID 140974064
5-bromo-7-fluoro-2,4-dimethyl-1H-indole
CID 167477335
2,3,5-trifluoro-4-methylbenzonitrile
CID 24820344
acetonitrile;1,2,4,5-tetrafluorobenzene
CID 155234627
6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
CID 130822676
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-methylpyrimidine-5-carbonitrile
CID 145145405
1,3,6,8-tetrafluoro-9H-carbazole
CID 163211724
1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine
CID 96609980

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
The IUPAC name of 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile (CID 145311742) is 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile.
What is the SMILES notation for 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
The canonical SMILES for 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile is Cc1c(F)cc(F)c2[nH]c(C#N)cc12.
What is the InChIKey of 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
The InChIKey is AGMKTCJFAGVIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2/c1-5-7-2-6(4-13)14-10(7)9(12)3-8(5)11/h2-3,14H,1H3.
What are the key properties of 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile?
5,7-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 5,7-difluoro-4-methyl-1H-indole-2-carbonitrile is sourced from PubChem (CID 145311742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).