6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C9H9ClF3N3O — CID 55041744

IUPAC6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C9H9ClF3N3O/c1-16(4-9(11,12)13)8(17)7-5(10)2-3-6(14)15-7/h2-3H,4H2,1H3,(H2,14,15)
InChIKeyKVHCLDSTZBIRRL-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.95
Rot. Bonds2

About 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 55041744) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID55041744
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C9H9ClF3N3O/c1-16(4-9(11,12)13)8(17)7-5(10)2-3-6(14)15-7/h2-3H,4H2,1H3,(H2,14,15)
InChIKeyKVHCLDSTZBIRRL-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 55041744) is 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CN(CC(F)(F)F)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is KVHCLDSTZBIRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c1-16(4-9(11,12)13)8(17)7-5(10)2-3-6(14)15-7/h2-3H,4H2,1H3,(H2,14,15).
What are the key properties of 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-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 6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 55041744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).