2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C9H9ClF3N3O — CID 62161304

IUPAC2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C9H9ClF3N3O/c1-16(4-9(11,12)13)8(17)5-2-6(10)15-7(14)3-5/h2-3H,4H2,1H3,(H2,14,15)
InChIKeyYXIDZNBAUQDVDN-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 62161304) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID62161304
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C9H9ClF3N3O/c1-16(4-9(11,12)13)8(17)5-2-6(10)15-7(14)3-5/h2-3H,4H2,1H3,(H2,14,15)
InChIKeyYXIDZNBAUQDVDN-UHFFFAOYSA-N
XLogP1.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 51.95
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 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 62161304) is 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CN(CC(F)(F)F)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is YXIDZNBAUQDVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c1-16(4-9(11,12)13)8(17)5-2-6(10)15-7(14)3-5/h2-3H,4H2,1H3,(H2,14,15).
What are the key properties of 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 267.64 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62161304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).