4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde

C9H4ClF6NO2 — CID 134682429

IUPAC4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(OC(F)(F)F)c(C(F)(F)F)c1CCl
InChIInChI=1S/C9H4ClF6NO2/c10-1-5-4(3-18)2-17-7(19-9(14,15)16)6(5)8(11,12)13/h2-3H,1H2
InChIKeyGDQFFPOWGWMJKQ-UHFFFAOYSA-N
MW307.58 g/mol
LogP3.55
Rot. Bonds3

About 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde

4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 134682429) has the molecular formula C9H4ClF6NO2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID134682429
Molecular FormulaC9H4ClF6NO2
Molecular Weight307.58 g/mol
Exact Mass306.98
IUPAC Name4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(OC(F)(F)F)c(C(F)(F)F)c1CCl
InChIInChI=1S/C9H4ClF6NO2/c10-1-5-4(3-18)2-17-7(19-9(14,15)16)6(5)8(11,12)13/h2-3H,1H2
InChIKeyGDQFFPOWGWMJKQ-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134673019
methyl 2-[5-(chloromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134673172
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
methyl 5-(chloromethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134668049
4-(chloromethyl)-2-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134681677
[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 134671793
6-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134672645
2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134680429
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113288
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134672889
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
methyl 2-[3-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134668053

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 134682429) is 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1cnc(OC(F)(F)F)c(C(F)(F)F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is GDQFFPOWGWMJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF6NO2/c10-1-5-4(3-18)2-17-7(19-9(14,15)16)6(5)8(11,12)13/h2-3H,1H2.
What are the key properties of 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 307.58 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134682429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).