2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde

C14H10F3NO2 — CID 172913849

IUPAC2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ncc(C(F)(F)F)cc2C=O)cc1
InChIInChI=1S/C14H10F3NO2/c1-20-12-4-2-9(3-5-12)13-10(8-19)6-11(7-18-13)14(15,16)17/h2-8H,1H3
InChIKeyANJXHTFLPBIEKD-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.59
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde

2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 172913849) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID172913849
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ncc(C(F)(F)F)cc2C=O)cc1
InChIInChI=1S/C14H10F3NO2/c1-20-12-4-2-9(3-5-12)13-10(8-19)6-11(7-18-13)14(15,16)17/h2-8H,1H3
InChIKeyANJXHTFLPBIEKD-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913846
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
3-(4-methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3751880
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 3720934
2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
CID 175075241
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 1480210
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-methoxy-1H-benzimidazole
CID 11596972
2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909587
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459857

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 172913849) is 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde is COc1ccc(-c2ncc(C(F)(F)F)cc2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is ANJXHTFLPBIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-12-4-2-9(3-5-12)13-10(8-19)6-11(7-18-13)14(15,16)17/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 281.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 172913849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).