(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C13H7Cl2F3N2O — CID 102709472

IUPAC(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNc1c(Cl)cc(C(=O)c2cnccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-9-3-6(4-10(15)11(9)19)12(21)7-5-20-2-1-8(7)13(16,17)18/h1-5H,19H2
InChIKeyMRTZESVUXIPZGC-UHFFFAOYSA-N
MW335.11 g/mol
LogP4.22
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102709472) has the molecular formula C13H7Cl2F3N2O and a molecular weight of 335.11 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102709472
Molecular FormulaC13H7Cl2F3N2O
Molecular Weight335.11 g/mol
Exact Mass333.99
IUPAC Name(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNc1c(Cl)cc(C(=O)c2cnccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-9-3-6(4-10(15)11(9)19)12(21)7-5-20-2-1-8(7)13(16,17)18/h1-5H,19H2
InChIKeyMRTZESVUXIPZGC-UHFFFAOYSA-N
XLogP4.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102709472) is (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is Nc1c(Cl)cc(C(=O)c2cnccc2C(F)(F)F)cc1Cl.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is MRTZESVUXIPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O/c14-9-3-6(4-10(15)11(9)19)12(21)7-5-20-2-1-8(7)13(16,17)18/h1-5H,19H2.
What are the key properties of (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 335.11 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102709472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).