5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide

C10H12BrClN2OS — CID 115759495

IUPAC5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSC(C)CNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2OS/c1-6(16-2)4-14-10(15)8-3-7(11)5-13-9(8)12/h3,5-6H,4H2,1-2H3,(H,14,15)
InChIKeySCLNGBGZJWRWHN-UHFFFAOYSA-N
MW323.64 g/mol
LogP2.98
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 115759495) has the molecular formula C10H12BrClN2OS and a molecular weight of 323.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID115759495
Molecular FormulaC10H12BrClN2OS
Molecular Weight323.64 g/mol
Exact Mass321.95
IUPAC Name5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSC(C)CNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2OS/c1-6(16-2)4-14-10(15)8-3-7(11)5-13-9(8)12/h3,5-6H,4H2,1-2H3,(H,14,15)
InChIKeySCLNGBGZJWRWHN-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.64
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037155
5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 62000661
5-bromo-2-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 78991392
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
5-bromo-2-chloro-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 71861931
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide (CID 115759495) is 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide is CSC(C)CNC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is SCLNGBGZJWRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2OS/c1-6(16-2)4-14-10(15)8-3-7(11)5-13-9(8)12/h3,5-6H,4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 323.64 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 115759495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).