5-fluoro-6-isocyano-1-methylindole

C10H7FN2 — CID 170653117

IUPAC5-fluoro-6-isocyano-1-methylindole
SMILES[C-]#[N+]c1cc2c(ccn2C)cc1F
InChIInChI=1S/C10H7FN2/c1-12-9-6-10-7(5-8(9)11)3-4-13(10)2/h3-6H,2H3
InChIKeyPCMFRKWCQYKLMW-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.87
Rot. Bonds

About 5-fluoro-6-isocyano-1-methylindole

5-fluoro-6-isocyano-1-methylindole (PubChem CID 170653117) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 5-fluoro-6-isocyano-1-methylindole.

Molecular Properties

Compound Name5-fluoro-6-isocyano-1-methylindole
PubChem CID170653117
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name5-fluoro-6-isocyano-1-methylindole
SMILES[C-]#[N+]c1cc2c(ccn2C)cc1F
InChIInChI=1S/C10H7FN2/c1-12-9-6-10-7(5-8(9)11)3-4-13(10)2/h3-6H,2H3
InChIKeyPCMFRKWCQYKLMW-UHFFFAOYSA-N
XLogP2.87
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
CID 115003362
2-(6-fluoro-1-methylindol-5-yl)ethanamine;hydrochloride
CID 135381436
1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole
CID 159730483
1-methylindole-5,6-diol;hydrobromide
CID 22287706
6-bromo-2-fluoro-3-isocyanonaphthalene
CID 170518314
5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
5-(4-fluorophenyl)-1-methylindole
CID 172686115
7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58411045
5,7-difluoro-1-methylindol-6-amine
CID 117274554
methylidyne-(1-methylindol-6-yl)azanium
CID 56924394

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-isocyano-1-methylindole?
The IUPAC name of 5-fluoro-6-isocyano-1-methylindole (CID 170653117) is 5-fluoro-6-isocyano-1-methylindole.
What is the SMILES notation for 5-fluoro-6-isocyano-1-methylindole?
The canonical SMILES for 5-fluoro-6-isocyano-1-methylindole is [C-]#[N+]c1cc2c(ccn2C)cc1F.
What is the InChIKey of 5-fluoro-6-isocyano-1-methylindole?
The InChIKey is PCMFRKWCQYKLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c1-12-9-6-10-7(5-8(9)11)3-4-13(10)2/h3-6H,2H3.
What are the key properties of 5-fluoro-6-isocyano-1-methylindole?
5-fluoro-6-isocyano-1-methylindole has a molecular weight of 174.18 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-isocyano-1-methylindole is sourced from PubChem (CID 170653117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).