1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile

C16H12FN3 — CID 107916534

IUPAC1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3cc(N)cc(F)c3)c2c1
InChIInChI=1S/C16H12FN3/c17-14-5-12(6-15(19)8-14)10-20-4-3-13-2-1-11(9-18)7-16(13)20/h1-8H,10,19H2
InChIKeyAMTFOOMJNNVAEP-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.28
Rot. Bonds2

About 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile

1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile (PubChem CID 107916534) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
PubChem CID107916534
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3cc(N)cc(F)c3)c2c1
InChIInChI=1S/C16H12FN3/c17-14-5-12(6-15(19)8-14)10-20-4-3-13-2-1-11(9-18)7-16(13)20/h1-8H,10,19H2
InChIKeyAMTFOOMJNNVAEP-UHFFFAOYSA-N
XLogP3.28
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-5-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919689
1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690035
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
1-[(2-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
CID 107916532
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690038
1-[(3-amino-5-fluorophenyl)methyl]pyrrole-2-carbonitrile
CID 114650238
5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
CID 107880798
4-[(6-aminoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114480884
1-[(4-amino-3-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919677
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carbonitrile
CID 114015637

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile?
The IUPAC name of 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile (CID 107916534) is 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile?
The canonical SMILES for 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile is N#Cc1ccc2ccn(Cc3cc(N)cc(F)c3)c2c1.
What is the InChIKey of 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile?
The InChIKey is AMTFOOMJNNVAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c17-14-5-12(6-15(19)8-14)10-20-4-3-13-2-1-11(9-18)7-16(13)20/h1-8H,10,19H2.
What are the key properties of 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile?
1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile is sourced from PubChem (CID 107916534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).