3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine

C32H22Cl7F6N9O4 — CID 159776413

About 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine

3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 159776413) has the molecular formula C32H22Cl7F6N9O4 and a molecular weight of 958.75 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

• Compound Name: 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine
• PubChem CID: 159776413
• Molecular Formula: C32H22Cl7F6N9O4
• Molecular Weight: 958.75 g/mol
• Exact Mass: 954.95
• IUPAC Name: 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine
• SMILES: CNc1ncc(C(F)(F)F)cc1N.CNc1ncc(C(F)(F)F)cc1NC(=O)c1nc(Cl)ccc1Cl.O=C(Cl)c1nc(Cl)ccc1Cl.O=C(O)c1nc(Cl)ccc1Cl
• InChI: InChI=1S/C13H9Cl2F3N4O.C7H8F3N3.C6H2Cl3NO.C6H3Cl2NO2/c1-19-11-8(4-6(5-20-11)13(16,17)18)21-12(23)10-7(14)2-3-9(15)22-10;1-12-6-5(11)2-4(3-13-6)7(8,9)10;7-3-1-2-4(8)10-5(3)6(9)11;7-3-1-2-4(8)9-5(3)6(10)11/h2-5H,1H3,(H,19,20)(H,21,23);2-3H,11H2,1H3,(H,12,13);1-2H;1-2H,(H,10,11)
• InChIKey: NGUKUCCDPAMTLK-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 198.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	958.75
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine?

The IUPAC name of 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine (CID 159776413) is 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine.

What is the SMILES notation for 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine?

The canonical SMILES for 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine is CNc1ncc(C(F)(F)F)cc1N.CNc1ncc(C(F)(F)F)cc1NC(=O)c1nc(Cl)ccc1Cl.O=C(Cl)c1nc(Cl)ccc1Cl.O=C(O)c1nc(Cl)ccc1Cl.

What is the InChIKey of 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine?

The InChIKey is NGUKUCCDPAMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N4O.C7H8F3N3.C6H2Cl3NO.C6H3Cl2NO2/c1-19-11-8(4-6(5-20-11)13(16,17)18)21-12(23)10-7(14)2-3-9(15)22-10;1-12-6-5(11)2-4(3-13-6)7(8,9)10;7-3-1-2-4(8)10-5(3)6(9)11;7-3-1-2-4(8)9-5(3)6(10)11/h2-5H,1H3,(H,19,20)(H,21,23);2-3H,11H2,1H3,(H,12,13);1-2H;1-2H,(H,10,11).

What are the key properties of 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine?

3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 958.75 g/mol, XLogP of 10.67, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dichloro-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carboxylic acid;2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 159776413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).