(3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone

C13H8ClF3N2O — CID 21448705

IUPAC(3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1ccc(Cl)nc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O/c14-10-6-5-9(18)11(19-10)12(20)7-3-1-2-4-8(7)13(15,16)17/h1-6H,18H2
InChIKeyISMGCNQZKGTVIO-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.57
Rot. Bonds2

About (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone

(3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 21448705) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID21448705
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name(3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1ccc(Cl)nc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O/c14-10-6-5-9(18)11(19-10)12(20)7-3-1-2-4-8(7)13(15,16)17/h1-6H,18H2
InChIKeyISMGCNQZKGTVIO-UHFFFAOYSA-N
XLogP3.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone (CID 21448705) is (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone is Nc1ccc(Cl)nc1C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ISMGCNQZKGTVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-10-6-5-9(18)11(19-10)12(20)7-3-1-2-4-8(7)13(15,16)17/h1-6H,18H2.
What are the key properties of (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
(3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.67 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 21448705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).