6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole

C10H11FInN — CID 143308565

IUPAC6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole
SMILESCC1=c2cc(C)c(F)cc2=N[In]1C
InChIInChI=1S/C9H8FN.CH3.In/c1-3-7-4-6(2)8(10)5-9(7)11;;/h4-5H,1-2H3;1H3;/q-1;;+1
InChIKeyBKXUKCAITMCXPY-UHFFFAOYSA-N
MW279.02 g/mol
LogP1.10
Rot. Bonds

About 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole

6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole (PubChem CID 143308565) has the molecular formula C10H11FInN and a molecular weight of 279.02 g/mol. Its IUPAC name is 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole.

Molecular Properties

Compound Name6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole
PubChem CID143308565
Molecular FormulaC10H11FInN
Molecular Weight279.02 g/mol
Exact Mass278.99
IUPAC Name6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole
SMILESCC1=c2cc(C)c(F)cc2=N[In]1C
InChIInChI=1S/C9H8FN.CH3.In/c1-3-7-4-6(2)8(10)5-9(7)11;;/h4-5H,1-2H3;1H3;/q-1;;+1
InChIKeyBKXUKCAITMCXPY-UHFFFAOYSA-N
XLogP1.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.02
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 155221501
2,2-Difluoroindole;ethane
CID 161017715
5-Fluoro-3-methyl-6,7-dihydroinden-1-imine
CID 163805724
5-fluoro-3-methyl-2H-indole
CID 95046937
1-Phenylethylideneazanide;tungsten(2+)
CID 20737701
1-Cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
CID 20750401
1-Cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
CID 20750403
1-Phenylethylideneazanide;yttrium
CID 59868263
(6-Azanidylidene-2,3,4-trimethylcyclohexa-2,4-dien-1-ylidene)azanide;yttrium
CID 59950006
(6-Ethylidenecyclohexa-2,4-dien-1-ylidene)azanide;uranium(2+)
CID 152982407

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole?
The IUPAC name of 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole (CID 143308565) is 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole.
What is the SMILES notation for 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole?
The canonical SMILES for 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole is CC1=c2cc(C)c(F)cc2=N[In]1C.
What is the InChIKey of 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole?
The InChIKey is BKXUKCAITMCXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN.CH3.In/c1-3-7-4-6(2)8(10)5-9(7)11;;/h4-5H,1-2H3;1H3;/q-1;;+1.
What are the key properties of 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole?
6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole has a molecular weight of 279.02 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,5-trimethyl-1,2-benzazaindigole is sourced from PubChem (CID 143308565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).