3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C74H62ClF4N15O5 — CID 160772077

About 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 160772077) has the molecular formula C74H62ClF4N15O5 and a molecular weight of 1352.85 g/mol. Its IUPAC name is 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 160772077
• Molecular Formula: C74H62ClF4N15O5
• Molecular Weight: 1352.85 g/mol
• Exact Mass: 1351.47
• IUPAC Name: 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1.O=C(Cl)c1cc2ccccc2cc1F.O=C(O)c1cc2ccccc2cc1F
• InChI: InChI=1S/2C21H18FN5O.C11H6ClFO.C11H7FO2.C10H13N5/c2*1-13(2)27-12-23-26-20(27)18-8-5-9-19(24-18)25-21(28)16-10-14-6-3-4-7-15(14)11-17(16)22;12-11(14)9-5-7-3-1-2-4-8(7)6-10(9)13;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h2*3-13H,1-2H3,(H,24,25,28);1-6H;1-6H,(H,13,14);3-7H,1-2H3,(H2,11,13)
• InChIKey: RZLIXMWXPNFYJN-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 269.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.85
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The IUPAC name of 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 160772077) is 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The canonical SMILES for 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1.O=C(Cl)c1cc2ccccc2cc1F.O=C(O)c1cc2ccccc2cc1F.

What is the InChIKey of 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The InChIKey is RZLIXMWXPNFYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18FN5O.C11H6ClFO.C11H7FO2.C10H13N5/c2*1-13(2)27-12-23-26-20(27)18-8-5-9-19(24-18)25-21(28)16-10-14-6-3-4-7-15(14)11-17(16)22;12-11(14)9-5-7-3-1-2-4-8(7)6-10(9)13;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h2*3-13H,1-2H3,(H,24,25,28);1-6H;1-6H,(H,13,14);3-7H,1-2H3,(H2,11,13).

What are the key properties of 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 1352.85 g/mol, XLogP of 16.47, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoronaphthalene-2-carbonyl chloride;3-fluoronaphthalene-2-carboxylic acid;bis(3-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 160772077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).