6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

C13H7ClF3NO2 — CID 134630932

IUPAC6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7ClF3NO2/c14-12-6-5-8(10(7-19)18-12)9-3-1-2-4-11(9)20-13(15,16)17/h1-7H
InChIKeyWWKCAWRWXABELD-UHFFFAOYSA-N
MW301.65 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (PubChem CID 134630932) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
PubChem CID134630932
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7ClF3NO2/c14-12-6-5-8(10(7-19)18-12)9-3-1-2-4-11(9)20-13(15,16)17/h1-7H
InChIKeyWWKCAWRWXABELD-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 54.11
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-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134621239
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
CID 130293163
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
3-[2-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 168654704
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635647
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 54883856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (CID 134630932) is 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is O=Cc1nc(Cl)ccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The InChIKey is WWKCAWRWXABELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-12-6-5-8(10(7-19)18-12)9-3-1-2-4-11(9)20-13(15,16)17/h1-7H.
What are the key properties of 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde has a molecular weight of 301.65 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 134630932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).