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

C16H11FN2 — CID 91690035

IUPAC1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C16H11FN2/c17-15-3-1-2-13(8-15)11-19-7-6-14-5-4-12(10-18)9-16(14)19/h1-9H,11H2
InChIKeyIWHMPPHMMSSOAL-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.70
Rot. Bonds2

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

1-[(3-fluorophenyl)methyl]indole-6-carbonitrile (PubChem CID 91690035) has the molecular formula C16H11FN2 and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
PubChem CID91690035
Molecular FormulaC16H11FN2
Molecular Weight250.28 g/mol
Exact Mass250.09
IUPAC Name1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C16H11FN2/c17-15-3-1-2-13(8-15)11-19-7-6-14-5-4-12(10-18)9-16(14)19/h1-9H,11H2
InChIKeyIWHMPPHMMSSOAL-UHFFFAOYSA-N
XLogP3.70
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 23492
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CID 15143
CID 15143
CID 11781
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CID 3065055
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CID 2307681
CID 2307681
CID 182029
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CID 11954881
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CID 25927
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CID 85879908
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CID 85146
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CID 13448901
CID 13448901

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile (CID 91690035) is 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile is N#Cc1ccc2ccn(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile?
The InChIKey is IWHMPPHMMSSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2/c17-15-3-1-2-13(8-15)11-19-7-6-14-5-4-12(10-18)9-16(14)19/h1-9H,11H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile?
1-[(3-fluorophenyl)methyl]indole-6-carbonitrile has a molecular weight of 250.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]indole-6-carbonitrile is sourced from PubChem (CID 91690035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).