1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde

C16H11ClFNO — CID 103047362

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(Cc3cc(Cl)ccc3F)c2c1
InChIInChI=1S/C16H11ClFNO/c17-14-3-4-15(18)13(8-14)9-19-6-5-12-2-1-11(10-20)7-16(12)19/h1-8,10H,9H2
InChIKeyZGZSHBVCATYZLA-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.29
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde

1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde (PubChem CID 103047362) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
PubChem CID103047362
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(Cc3cc(Cl)ccc3F)c2c1
InChIInChI=1S/C16H11ClFNO/c17-14-3-4-15(18)13(8-14)9-19-6-5-12-2-1-11(10-20)7-16(12)19/h1-8,10H,9H2
InChIKeyZGZSHBVCATYZLA-UHFFFAOYSA-N
XLogP4.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde
CID 102911365
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
3-chloro-4-[(6-formylindol-1-yl)methyl]benzonitrile
CID 102911207
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
1-[(2,5-difluorophenyl)methyl]-6-[1-[(2,5-difluorophenyl)methyl]indol-6-yl]indole
CID 56851726
1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
CID 102910928
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
CID 102911175
1-(4-chlorophenyl)indole-6-carbaldehyde
CID 122476059

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde (CID 103047362) is 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde is O=Cc1ccc2ccn(Cc3cc(Cl)ccc3F)c2c1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde?
The InChIKey is ZGZSHBVCATYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-14-3-4-15(18)13(8-14)9-19-6-5-12-2-1-11(10-20)7-16(12)19/h1-8,10H,9H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde?
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde has a molecular weight of 287.72 g/mol, XLogP of 4.29, 3 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-6-carbaldehyde is sourced from PubChem (CID 103047362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).