2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde

C14H10F3NO — CID 143605067

IUPAC2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde
SMILESC=C1C(C=O)=CC=CN1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10F3NO/c1-9-11(8-19)3-2-4-18(9)7-10-5-12(15)14(17)13(16)6-10/h2-6,8H,1,7H2
InChIKeyBZWAYXBZZALKLI-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.07
Rot. Bonds3

About 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde

2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde (PubChem CID 143605067) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde
PubChem CID143605067
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde
SMILESC=C1C(C=O)=CC=CN1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10F3NO/c1-9-11(8-19)3-2-4-18(9)7-10-5-12(15)14(17)13(16)6-10/h2-6,8H,1,7H2
InChIKeyBZWAYXBZZALKLI-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde?
The IUPAC name of 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde (CID 143605067) is 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde is C=C1C(C=O)=CC=CN1Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde?
The InChIKey is BZWAYXBZZALKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-9-11(8-19)3-2-4-18(9)7-10-5-12(15)14(17)13(16)6-10/h2-6,8H,1,7H2.
What are the key properties of 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde?
2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde has a molecular weight of 265.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 143605067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).