2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde

C7H3ClF3NO2 — CID 119020600

IUPAC2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(OC(F)(F)F)cnc1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-6-4(3-13)1-5(2-12-6)14-7(9,10)11/h1-3H
InChIKeyFLJSBMLYWVMEQR-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.45
Rot. Bonds2

About 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde

2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 119020600) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID119020600
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(OC(F)(F)F)cnc1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-6-4(3-13)1-5(2-12-6)14-7(9,10)11/h1-3H
InChIKeyFLJSBMLYWVMEQR-UHFFFAOYSA-N
XLogP2.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810
2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134617500
2-nitro-5-(trifluoromethoxy)benzaldehyde
CID 162535108
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
2-chloro-5-fluoro-3-(trifluoromethoxy)pyridine
CID 119020397
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 119020600) is 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cc(OC(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is FLJSBMLYWVMEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-6-4(3-13)1-5(2-12-6)14-7(9,10)11/h1-3H.
What are the key properties of 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 225.55 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 119020600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).