1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile

C16H10ClFN2 — CID 91690038

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C16H10ClFN2/c17-15-8-14(18)4-3-13(15)10-20-6-5-12-2-1-11(9-19)7-16(12)20/h1-8H,10H2
InChIKeySMNLGLDTLYQKNG-UHFFFAOYSA-N
MW284.72 g/mol
LogP4.35
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile

1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile (PubChem CID 91690038) has the molecular formula C16H10ClFN2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile
PubChem CID91690038
Molecular FormulaC16H10ClFN2
Molecular Weight284.72 g/mol
Exact Mass284.05
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C16H10ClFN2/c17-15-8-14(18)4-3-13(15)10-20-6-5-12-2-1-11(9-19)7-16(12)20/h1-8H,10H2
InChIKeySMNLGLDTLYQKNG-UHFFFAOYSA-N
XLogP4.35
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzonitrile
CID 102670377
1-[(2-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
CID 107916532
3-chloro-4-[(6-formylindol-1-yl)methyl]benzonitrile
CID 102911207
1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690035
1-[(2-fluoro-3-methoxyphenyl)methyl]indole-6-carbonitrile
CID 107917049
4-[[5-(aminomethyl)indol-1-yl]methyl]-3-chlorobenzonitrile
CID 102915523
1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
CID 107916534
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
3-chloro-4-[(4-chloroindol-1-yl)methyl]benzonitrile
CID 102670424
1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920285
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
4-[(6-aminoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114480884

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile (CID 91690038) is 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile is N#Cc1ccc2ccn(Cc3ccc(F)cc3Cl)c2c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile?
The InChIKey is SMNLGLDTLYQKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2/c17-15-8-14(18)4-3-13(15)10-20-6-5-12-2-1-11(9-19)7-16(12)20/h1-8H,10H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile?
1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile has a molecular weight of 284.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile is sourced from PubChem (CID 91690038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).