5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine

C11H5Cl2FN4S — CID 65452564

IUPAC5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine
SMILESFc1cccc(Nc2c(Cl)cc(Cl)c3nsnc23)n1
InChIInChI=1S/C11H5Cl2FN4S/c12-5-4-6(13)10-11(18-19-17-10)9(5)16-8-3-1-2-7(14)15-8/h1-4H,(H,15,16)
InChIKeyYHQRPUDLWNTVBI-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.28
Rot. Bonds2

About 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65452564) has the molecular formula C11H5Cl2FN4S and a molecular weight of 315.16 g/mol. Its IUPAC name is 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65452564
Molecular FormulaC11H5Cl2FN4S
Molecular Weight315.16 g/mol
Exact Mass313.96
IUPAC Name5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine
SMILESFc1cccc(Nc2c(Cl)cc(Cl)c3nsnc23)n1
InChIInChI=1S/C11H5Cl2FN4S/c12-5-4-6(13)10-11(18-19-17-10)9(5)16-8-3-1-2-7(14)15-8/h1-4H,(H,15,16)
InChIKeyYHQRPUDLWNTVBI-UHFFFAOYSA-N
XLogP4.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,8-dichloro-2-(trifluoromethyl)-3H-imidazo[4,5-b]quinoxaline
CID 23275264
1H-Benzimidazol-2-amine, 5-chloro-N-(4-chloro-6-methyl-2-pyrimidinyl)-
CID 626240
4-N-(4-chloro-3-fluorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 90177204
4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 90177222
4-N-(4-chlorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90177247
4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90177744
4-N-(4-chloro-3-fluorophenyl)-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90177897
4-N-(4-chlorophenyl)-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90177989
4-N-(4-chlorophenyl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 90178017
4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90178076
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90182252
4-N-(3-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90182259

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine (CID 65452564) is 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine is Fc1cccc(Nc2c(Cl)cc(Cl)c3nsnc23)n1.
What is the InChIKey of 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is YHQRPUDLWNTVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN4S/c12-5-4-6(13)10-11(18-19-17-10)9(5)16-8-3-1-2-7(14)15-8/h1-4H,(H,15,16).
What are the key properties of 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 315.16 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(6-fluoro-2-pyridinyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65452564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).