3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde

C20H15F2NO — CID 123475765

IUPAC3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde
SMILESO=Cc1cccc(-c2cccnc2CCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C20H15F2NO/c21-17-10-14(11-18(22)12-17)6-7-20-19(5-2-8-23-20)16-4-1-3-15(9-16)13-24/h1-5,8-13H,6-7H2
InChIKeyYXXPVYCBYNKYKY-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.62
Rot. Bonds5

About 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde

3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde (PubChem CID 123475765) has the molecular formula C20H15F2NO and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde
PubChem CID123475765
Molecular FormulaC20H15F2NO
Molecular Weight323.34 g/mol
Exact Mass323.11
IUPAC Name3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde
SMILESO=Cc1cccc(-c2cccnc2CCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C20H15F2NO/c21-17-10-14(11-18(22)12-17)6-7-20-19(5-2-8-23-20)16-4-1-3-15(9-16)13-24/h1-5,8-13H,6-7H2
InChIKeyYXXPVYCBYNKYKY-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.62
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

2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
4-Quinolinecarboxaldehyde
CID 78072
8-Quinolinecarboxaldehyde
CID 170103
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
2-Amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide
CID 16048303
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
N-(4-tert-butylphenyl)-4-(3-fluoropyridin-2-yl)benzamide
CID 11152242
N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 2351493
1,5-Diphenyl-3-(pyridin-4-yl)pentane-1,5-dione
CID 219448
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
1-(4-Fluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5852329

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde?
The IUPAC name of 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde (CID 123475765) is 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde?
The canonical SMILES for 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde is O=Cc1cccc(-c2cccnc2CCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde?
The InChIKey is YXXPVYCBYNKYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO/c21-17-10-14(11-18(22)12-17)6-7-20-19(5-2-8-23-20)16-4-1-3-15(9-16)13-24/h1-5,8-13H,6-7H2.
What are the key properties of 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde?
3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde has a molecular weight of 323.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 123475765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).