7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine

C37H22Cl4F2N12S3 — CID 157478279

About 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine

7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine (PubChem CID 157478279) has the molecular formula C37H22Cl4F2N12S3 and a molecular weight of 910.68 g/mol. Its IUPAC name is 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine.

Molecular Properties

• Compound Name: 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine
• PubChem CID: 157478279
• Molecular Formula: C37H22Cl4F2N12S3
• Molecular Weight: 910.68 g/mol
• Exact Mass: 908.00
• IUPAC Name: 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine
• SMILES: CSc1nc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2s1.N#Cc1cnc2nc(Nc3ccc(Cl)nc3)sc2c1Nc1ccc(F)c(Cl)c1.Nc1ccc(Cl)nc1
• InChI: InChI=1S/C18H9Cl2FN6S.C14H8ClFN4S2.C5H5ClN2/c19-12-5-10(1-3-13(12)21)25-15-9(6-22)7-24-17-16(15)28-18(27-17)26-11-2-4-14(20)23-8-11;1-21-14-20-13-12(22-14)11(7(5-17)6-18-13)19-8-2-3-10(16)9(15)4-8;6-5-2-1-4(7)3-8-5/h1-5,7-8H,(H2,24,25,26,27);2-4,6H,1H3,(H,18,19);1-3H,7H2
• InChIKey: BVVVVOJPNGBBAN-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 187.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.68
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine?

The IUPAC name of 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine (CID 157478279) is 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine.

What is the SMILES notation for 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine?

The canonical SMILES for 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine is CSc1nc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2s1.N#Cc1cnc2nc(Nc3ccc(Cl)nc3)sc2c1Nc1ccc(F)c(Cl)c1.Nc1ccc(Cl)nc1.

What is the InChIKey of 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine?

The InChIKey is BVVVVOJPNGBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2FN6S.C14H8ClFN4S2.C5H5ClN2/c19-12-5-10(1-3-13(12)21)25-15-9(6-22)7-24-17-16(15)28-18(27-17)26-11-2-4-14(20)23-8-11;1-21-14-20-13-12(22-14)11(7(5-17)6-18-13)19-8-2-3-10(16)9(15)4-8;6-5-2-1-4(7)3-8-5/h1-5,7-8H,(H2,24,25,26,27);2-4,6H,1H3,(H,18,19);1-3H,7H2.

What are the key properties of 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine?

7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine has a molecular weight of 910.68 g/mol, XLogP of 12.03, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-chloro-4-fluoroanilino)-2-[(6-chloro-3-pyridinyl)amino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;6-chloropyridin-3-amine is sourced from PubChem (CID 157478279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).