4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal

C10H10ClF3N2O — CID 163628050

IUPAC4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal
SMILESNCCC(C=O)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O/c11-9-4-7(10(12,13)14)3-8(16-9)6(5-17)1-2-15/h3-6H,1-2,15H2
InChIKeyHTRKIPHCLBOPDF-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.39
Rot. Bonds4

About 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal

4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal (PubChem CID 163628050) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal.

Molecular Properties

Compound Name4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal
PubChem CID163628050
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal
SMILESNCCC(C=O)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O/c11-9-4-7(10(12,13)14)3-8(16-9)6(5-17)1-2-15/h3-6H,1-2,15H2
InChIKeyHTRKIPHCLBOPDF-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal?
The IUPAC name of 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal (CID 163628050) is 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal.
What is the SMILES notation for 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal?
The canonical SMILES for 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal is NCCC(C=O)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal?
The InChIKey is HTRKIPHCLBOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-9-4-7(10(12,13)14)3-8(16-9)6(5-17)1-2-15/h3-6H,1-2,15H2.
What are the key properties of 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal?
4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal has a molecular weight of 266.65 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal is sourced from PubChem (CID 163628050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).