6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde

C7H3ClF3NO2 — CID 119024459

IUPAC6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-6-1-5(14-7(9,10)11)4(3-13)2-12-6/h1-3H
InChIKeyQUVSARPEGHRMOK-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.45
Rot. Bonds2

About 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde

6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 119024459) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID119024459
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-6-1-5(14-7(9,10)11)4(3-13)2-12-6/h1-3H
InChIKeyQUVSARPEGHRMOK-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-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119020600
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091935
2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
CID 131167977
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237
5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130092580
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495
N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine
CID 171062917

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 119024459) is 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cnc(Cl)cc1OC(F)(F)F.
What is the InChIKey of 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is QUVSARPEGHRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-6-1-5(14-7(9,10)11)4(3-13)2-12-6/h1-3H.
What are the key properties of 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
6-chloro-4-(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 6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 119024459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).