5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde

C9H7ClF3NO3 — CID 134679465

IUPAC5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1ncc(CCl)c(OC(F)(F)F)c1C=O
InChIInChI=1S/C9H7ClF3NO3/c1-16-8-6(4-15)7(17-9(11,12)13)5(2-10)3-14-8/h3-4H,2H2,1H3
InChIKeyIEGLMBZYHQNFLW-UHFFFAOYSA-N
MW269.61 g/mol
LogP2.54
Rot. Bonds4

About 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde

5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134679465) has the molecular formula C9H7ClF3NO3 and a molecular weight of 269.61 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134679465
Molecular FormulaC9H7ClF3NO3
Molecular Weight269.61 g/mol
Exact Mass269.01
IUPAC Name5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1ncc(CCl)c(OC(F)(F)F)c1C=O
InChIInChI=1S/C9H7ClF3NO3/c1-16-8-6(4-15)7(17-9(11,12)13)5(2-10)3-14-8/h3-4H,2H2,1H3
InChIKeyIEGLMBZYHQNFLW-UHFFFAOYSA-N
XLogP2.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134681677
methyl 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668327
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113288
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
2-[4-(chloromethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682584
methyl 5-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134669027
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134658888
methyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660761
[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660114
5-(chloromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134666145
methyl 5-(chloromethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134668049
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134679465) is 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde is COc1ncc(CCl)c(OC(F)(F)F)c1C=O.
What is the InChIKey of 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is IEGLMBZYHQNFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3/c1-16-8-6(4-15)7(17-9(11,12)13)5(2-10)3-14-8/h3-4H,2H2,1H3.
What are the key properties of 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 269.61 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134679465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).