5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde

C53H36Cl7N11O8S3 — CID 172936926

About 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde

5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde (PubChem CID 172936926) has the molecular formula C53H36Cl7N11O8S3 and a molecular weight of 1299.31 g/mol. Its IUPAC name is 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde
• PubChem CID: 172936926
• Molecular Formula: C53H36Cl7N11O8S3
• Molecular Weight: 1299.31 g/mol
• Exact Mass: 1294.97
• IUPAC Name: 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde
• SMILES: C#CCNC(=O)c1ccc(Cl)s1.O/N=C(\Cl)c1ccc(Cl)nc1.O=C(NCc1cc(-c2ccc(-n3ccccc3=O)nc2)no1)c1ccc(Cl)s1.O=C(NCc1cc(-c2ccc(Cl)nc2)no1)c1ccc(Cl)s1.O=Cc1ccc(Cl)nc1
• InChI: InChI=1S/C19H13ClN4O3S.C14H9Cl2N3O2S.C8H6ClNOS.C6H4Cl2N2O.C6H4ClNO/c20-16-6-5-15(28-16)19(26)22-11-13-9-14(23-27-13)12-4-7-17(21-10-12)24-8-2-1-3-18(24)25;15-12-3-1-8(6-17-12)10-5-9(21-19-10)7-18-14(20)11-2-4-13(16)22-11;1-2-5-10-8(11)6-3-4-7(9)12-6;7-5-2-1-4(3-9-5)6(8)10-11;7-6-2-1-5(4-9)3-8-6/h1-10H,11H2,(H,22,26);1-6H,7H2,(H,18,20);1,3-4H,5H2,(H,10,11);1-3,11H;1-4H/b;;;10-6-
• InChIKey: GRYMRMPRFZBGEJ-ZXEHAEIQSA-N
• XLogP: 12.99
• TPSA: 262.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.31
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde?

The IUPAC name of 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde (CID 172936926) is 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde.

What is the SMILES notation for 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde?

The canonical SMILES for 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde is C#CCNC(=O)c1ccc(Cl)s1.O/N=C(\Cl)c1ccc(Cl)nc1.O=C(NCc1cc(-c2ccc(-n3ccccc3=O)nc2)no1)c1ccc(Cl)s1.O=C(NCc1cc(-c2ccc(Cl)nc2)no1)c1ccc(Cl)s1.O=Cc1ccc(Cl)nc1.

What is the InChIKey of 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde?

The InChIKey is GRYMRMPRFZBGEJ-ZXEHAEIQSA-N. The full InChI is InChI=1S/C19H13ClN4O3S.C14H9Cl2N3O2S.C8H6ClNOS.C6H4Cl2N2O.C6H4ClNO/c20-16-6-5-15(28-16)19(26)22-11-13-9-14(23-27-13)12-4-7-17(21-10-12)24-8-2-1-3-18(24)25;15-12-3-1-8(6-17-12)10-5-9(21-19-10)7-18-14(20)11-2-4-13(16)22-11;1-2-5-10-8(11)6-3-4-7(9)12-6;7-5-2-1-4(3-9-5)6(8)10-11;7-6-2-1-5(4-9)3-8-6/h1-10H,11H2,(H,22,26);1-6H,7H2,(H,18,20);1,3-4H,5H2,(H,10,11);1-3,11H;1-4H/b;;;10-6-;.

What are the key properties of 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde?

5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde has a molecular weight of 1299.31 g/mol, XLogP of 12.99, 13 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;(3Z)-6-chloro-N-hydroxypyridine-3-carboximidoyl chloride;5-chloro-N-[[3-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-prop-2-ynylthiophene-2-carboxamide;6-chloropyridine-3-carbaldehyde is sourced from PubChem (CID 172936926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).