1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile

C16H10ClFN2 — CID 107920285

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H10ClFN2/c17-14-2-3-15(18)13(8-14)10-20-6-5-12-7-11(9-19)1-4-16(12)20/h1-8H,10H2
InChIKeyWZAASTXLNFHRFV-UHFFFAOYSA-N
MW284.72 g/mol
LogP4.35
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile

1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile (PubChem CID 107920285) has the molecular formula C16H10ClFN2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
PubChem CID107920285
Molecular FormulaC16H10ClFN2
Molecular Weight284.72 g/mol
Exact Mass284.05
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H10ClFN2/c17-14-2-3-15(18)13(8-14)10-20-6-5-12-7-11(9-19)1-4-16(12)20/h1-8H,10H2
InChIKeyWZAASTXLNFHRFV-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-bromo-3-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920156
4-[(5-bromoindol-1-yl)methyl]-3-fluorobenzonitrile
CID 116619751
1-[(3-bromo-2,6-difluorophenyl)methyl]indole-5-carbonitrile
CID 106266361
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-[(4-amino-3-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919677
4-[[5-(aminomethyl)indol-1-yl]methyl]-3-chlorobenzonitrile
CID 102915523
1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690038
1-[(3-amino-5-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919689
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623355
3-[(7-aminoindol-1-yl)methyl]-4-fluorobenzonitrile
CID 114935754
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile (CID 107920285) is 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile is N#Cc1ccc2c(ccn2Cc2cc(Cl)ccc2F)c1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile?
The InChIKey is WZAASTXLNFHRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2/c17-14-2-3-15(18)13(8-14)10-20-6-5-12-7-11(9-19)1-4-16(12)20/h1-8H,10H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile?
1-[(5-chloro-2-fluorophenyl)methyl]indole-5-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-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile is sourced from PubChem (CID 107920285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).