5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde

C12H5Cl3FNO — CID 134637533

IUPAC5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C12H5Cl3FNO/c13-7-2-8(11(15)9(14)3-7)12-10(16)1-6(5-18)4-17-12/h1-5H
InChIKeyNOXBCTFTGMVWKQ-UHFFFAOYSA-N
MW304.54 g/mol
LogP4.66
Rot. Bonds2

About 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde

5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 134637533) has the molecular formula C12H5Cl3FNO and a molecular weight of 304.54 g/mol. Its IUPAC name is 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID134637533
Molecular FormulaC12H5Cl3FNO
Molecular Weight304.54 g/mol
Exact Mass302.94
IUPAC Name5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C12H5Cl3FNO/c13-7-2-8(11(15)9(14)3-7)12-10(16)1-6(5-18)4-17-12/h1-5H
InChIKeyNOXBCTFTGMVWKQ-UHFFFAOYSA-N
XLogP4.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
5,6-dichloropyridine-3-carbaldehyde
CID 11535654
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
6,8-dichloroquinoline-3-carbaldehyde
CID 131507049
2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637455
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
6-amino-5-fluoropyridine-3-carbaldehyde
CID 131028659
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637233

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde (CID 134637533) is 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde is O=Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(F)c1.
What is the InChIKey of 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is NOXBCTFTGMVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO/c13-7-2-8(11(15)9(14)3-7)12-10(16)1-6(5-18)4-17-12/h1-5H.
What are the key properties of 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde has a molecular weight of 304.54 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134637533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).