2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde

C13H5Cl2F4NO — CID 15335409

IUPAC2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C13H5Cl2F4NO/c14-9-3-11(16)8(1-6(9)5-21)12-10(15)2-7(4-20-12)13(17,18)19/h1-5H
InChIKeyRWHNTDXKQISTFD-UHFFFAOYSA-N
MW338.09 g/mol
LogP5.03
Rot. Bonds2

About 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde

2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde (PubChem CID 15335409) has the molecular formula C13H5Cl2F4NO and a molecular weight of 338.09 g/mol. Its IUPAC name is 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
PubChem CID15335409
Molecular FormulaC13H5Cl2F4NO
Molecular Weight338.09 g/mol
Exact Mass336.97
IUPAC Name2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C13H5Cl2F4NO/c14-9-3-11(16)8(1-6(9)5-21)12-10(15)2-7(4-20-12)13(17,18)19/h1-5H
InChIKeyRWHNTDXKQISTFD-UHFFFAOYSA-N
XLogP5.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.09
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde?
The IUPAC name of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde (CID 15335409) is 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde.
What is the SMILES notation for 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde?
The canonical SMILES for 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde is O=Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl.
What is the InChIKey of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde?
The InChIKey is RWHNTDXKQISTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F4NO/c14-9-3-11(16)8(1-6(9)5-21)12-10(15)2-7(4-20-12)13(17,18)19/h1-5H.
What are the key properties of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde?
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde has a molecular weight of 338.09 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde is sourced from PubChem (CID 15335409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).