7-fluoro-2-isocyanato-1-methylindole

C10H7FN2O — CID 83817920

IUPAC7-fluoro-2-isocyanato-1-methylindole
SMILESCn1c(N=C=O)cc2cccc(F)c21
InChIInChI=1S/C10H7FN2O/c1-13-9(12-6-14)5-7-3-2-4-8(11)10(7)13/h2-5H,1H3
InChIKeyRYWGUCBFXPDKKS-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.28
Rot. Bonds1

About 7-fluoro-2-isocyanato-1-methylindole

7-fluoro-2-isocyanato-1-methylindole (PubChem CID 83817920) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 7-fluoro-2-isocyanato-1-methylindole.

Molecular Properties

Compound Name7-fluoro-2-isocyanato-1-methylindole
PubChem CID83817920
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name7-fluoro-2-isocyanato-1-methylindole
SMILESCn1c(N=C=O)cc2cccc(F)c21
InChIInChI=1S/C10H7FN2O/c1-13-9(12-6-14)5-7-3-2-4-8(11)10(7)13/h2-5H,1H3
InChIKeyRYWGUCBFXPDKKS-UHFFFAOYSA-N
XLogP2.28
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

2-isocyanato-1,7-dimethylindole
CID 83817553
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117183581
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345
2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84639153
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
CID 117183745
7-fluoroindol-1-amine
CID 96636191
2-[(4-bromophenyl)methyl]-1-butyl-7-fluoroindole
CID 18946702
2-isocyanato-7-methyl-1-benzofuran
CID 83816438
2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone
CID 162388933
2-bromo-7-fluoro-1-methylbenzimidazole
CID 83840138

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-isocyanato-1-methylindole?
The IUPAC name of 7-fluoro-2-isocyanato-1-methylindole (CID 83817920) is 7-fluoro-2-isocyanato-1-methylindole.
What is the SMILES notation for 7-fluoro-2-isocyanato-1-methylindole?
The canonical SMILES for 7-fluoro-2-isocyanato-1-methylindole is Cn1c(N=C=O)cc2cccc(F)c21.
What is the InChIKey of 7-fluoro-2-isocyanato-1-methylindole?
The InChIKey is RYWGUCBFXPDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c1-13-9(12-6-14)5-7-3-2-4-8(11)10(7)13/h2-5H,1H3.
What are the key properties of 7-fluoro-2-isocyanato-1-methylindole?
7-fluoro-2-isocyanato-1-methylindole has a molecular weight of 190.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-isocyanato-1-methylindole is sourced from PubChem (CID 83817920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).