4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde

C12H5ClF4N2O — CID 151221133

IUPAC4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(F)c(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C12H5ClF4N2O/c13-8-3-7(5-20)19-11(10(8)14)6-1-2-9(18-4-6)12(15,16)17/h1-5H
InChIKeyNMHOVYNRTSFDKA-UHFFFAOYSA-N
MW304.63 g/mol
LogP3.77
Rot. Bonds2

About 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde

4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (PubChem CID 151221133) has the molecular formula C12H5ClF4N2O and a molecular weight of 304.63 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
PubChem CID151221133
Molecular FormulaC12H5ClF4N2O
Molecular Weight304.63 g/mol
Exact Mass304.00
IUPAC Name4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(F)c(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C12H5ClF4N2O/c13-8-3-7(5-20)19-11(10(8)14)6-1-2-9(18-4-6)12(15,16)17/h1-5H
InChIKeyNMHOVYNRTSFDKA-UHFFFAOYSA-N
XLogP3.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.63
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorobenzoyl)pyridine
CID 80594
2-Benzoyl-3-chloro-5-(trifluoromethyl)pyridine
CID 1483143
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-pyridinyl)acetamide
CID 3802706
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](3-pyridinyl)methanone
CID 1478939
(2-Chlorophenyl)(pyridin-2-yl)methanone
CID 137164
5-Chloro-4-(4-fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-3-yl-ethyl)-amide
CID 76282970
US10626095, Example 623
CID 122476029
2-(3-Chlorobenzoyl)pyridine
CID 10727521
(4-Chlorophenyl)-[2-(difluoromethyl)-4-pyridinyl]methanone
CID 168289147
2-(4-Chlorophenyl)nicotinaldehyde
CID 2764568
2-(3-Chlorophenyl)-pyridine-3-carbaldehyde
CID 82393374
2-(2-Chlorophenyl)-pyridine-3-carbaldehyde
CID 88040517

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The IUPAC name of 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (CID 151221133) is 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The canonical SMILES for 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is O=Cc1cc(Cl)c(F)c(-c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The InChIKey is NMHOVYNRTSFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF4N2O/c13-8-3-7(5-20)19-11(10(8)14)6-1-2-9(18-4-6)12(15,16)17/h1-5H.
What are the key properties of 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde has a molecular weight of 304.63 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 151221133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).