5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C13H7ClF3NO — CID 134629506

IUPAC5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7ClF3NO/c14-11-5-9(7-19)12(18-6-11)8-1-3-10(4-2-8)13(15,16)17/h1-7H
InChIKeyDCMQZMNTIDWJAV-UHFFFAOYSA-N
MW285.65 g/mol
LogP4.23
Rot. Bonds2

About 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 134629506) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID134629506
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7ClF3NO/c14-11-5-9(7-19)12(18-6-11)8-1-3-10(4-2-8)13(15,16)17/h1-7H
InChIKeyDCMQZMNTIDWJAV-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 54.23
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 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 134629506) is 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is O=Cc1cc(Cl)cnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is DCMQZMNTIDWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-11-5-9(7-19)12(18-6-11)8-1-3-10(4-2-8)13(15,16)17/h1-7H.
What are the key properties of 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 285.65 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 134629506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).