2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide

C12H5Cl3N4OS — CID 61053149

IUPAC2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccnc(Cl)c1
InChIInChI=1S/C12H5Cl3N4OS/c13-6-4-7(14)10-11(19-21-18-10)9(6)17-12(20)5-1-2-16-8(15)3-5/h1-4H,(H,17,20)
InChIKeyLNGXANWWTIJCIH-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide

2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide (PubChem CID 61053149) has the molecular formula C12H5Cl3N4OS and a molecular weight of 359.63 g/mol. Its IUPAC name is 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide
PubChem CID61053149
Molecular FormulaC12H5Cl3N4OS
Molecular Weight359.63 g/mol
Exact Mass357.92
IUPAC Name2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccnc(Cl)c1
InChIInChI=1S/C12H5Cl3N4OS/c13-6-4-7(14)10-11(19-21-18-10)9(6)17-12(20)5-1-2-16-8(15)3-5/h1-4H,(H,17,20)
InChIKeyLNGXANWWTIJCIH-UHFFFAOYSA-N
XLogP4.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.30
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

4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 60955307
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 65469908
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 60704914
4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide
CID 65474030
N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 43237002
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
CID 60853817
2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 60866735
1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
CID 60852266
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-ylamino)butanamide
CID 60851320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide (CID 61053149) is 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide is O=C(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide?
The InChIKey is LNGXANWWTIJCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N4OS/c13-6-4-7(14)10-11(19-21-18-10)9(6)17-12(20)5-1-2-16-8(15)3-5/h1-4H,(H,17,20).
What are the key properties of 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide?
2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide has a molecular weight of 359.63 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 61053149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).