2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde

C8H5ClF3NO — CID 146279885

IUPAC2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
SMILESO=CCc1cnc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-7-3-6(8(10,11)12)5(1-2-14)4-13-7/h2-4H,1H2
InChIKeyIBFIWIYIGKZPEZ-UHFFFAOYSA-N
MW223.58 g/mol
LogP2.50
Rot. Bonds2

About 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde

2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde (PubChem CID 146279885) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
PubChem CID146279885
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
SMILESO=CCc1cnc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-7-3-6(8(10,11)12)5(1-2-14)4-13-7/h2-4H,1H2
InChIKeyIBFIWIYIGKZPEZ-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine
CID 161141422
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde
CID 53403463
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
CID 53403700
1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871
3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
CID 131282107
2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]acetaldehyde
CID 83889193
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
2-(4-chloro-2,5-difluorophenyl)acetaldehyde
CID 88923166
2-[2-acetyl-5-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 126498057
2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide
CID 176940054

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde?
The IUPAC name of 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde (CID 146279885) is 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde is O=CCc1cnc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde?
The InChIKey is IBFIWIYIGKZPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-7-3-6(8(10,11)12)5(1-2-14)4-13-7/h2-4H,1H2.
What are the key properties of 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde?
2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde has a molecular weight of 223.58 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde is sourced from PubChem (CID 146279885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).