5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C8H7ClF3N3O — CID 141497614

IUPAC5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(N)=O)c(C(F)(F)F)c1N
InChIInChI=1S/C8H7ClF3N3O/c1-2-5(13)4(8(10,11)12)3(7(14)16)6(9)15-2/h13H2,1H3,(H2,14,16)
InChIKeyHCOCLDQAWHIDQN-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.74
Rot. Bonds1

About 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 141497614) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID141497614
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(N)=O)c(C(F)(F)F)c1N
InChIInChI=1S/C8H7ClF3N3O/c1-2-5(13)4(8(10,11)12)3(7(14)16)6(9)15-2/h13H2,1H3,(H2,14,16)
InChIKeyHCOCLDQAWHIDQN-UHFFFAOYSA-N
XLogP1.74
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.74
H-Bond Donors ≤ 52
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 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 141497614) is 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(Cl)c(C(N)=O)c(C(F)(F)F)c1N.
What is the InChIKey of 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HCOCLDQAWHIDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c1-2-5(13)4(8(10,11)12)3(7(14)16)6(9)15-2/h13H2,1H3,(H2,14,16).
What are the key properties of 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 253.61 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 141497614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).