N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide

C11H7BrCl2N2OS — CID 32778548

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H7BrCl2N2OS/c12-8-2-1-7(18-8)5-15-11(17)6-3-9(13)16-10(14)4-6/h1-4H,5H2,(H,15,17)
InChIKeySDBYVRGCELQPBE-UHFFFAOYSA-N
MW366.07 g/mol
LogP4.14
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide (PubChem CID 32778548) has the molecular formula C11H7BrCl2N2OS and a molecular weight of 366.07 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
PubChem CID32778548
Molecular FormulaC11H7BrCl2N2OS
Molecular Weight366.07 g/mol
Exact Mass363.88
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H7BrCl2N2OS/c12-8-2-1-7(18-8)5-15-11(17)6-3-9(13)16-10(14)4-6/h1-4H,5H2,(H,15,17)
InChIKeySDBYVRGCELQPBE-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.07
LogP ≤ 54.14
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

2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 32776156
N-[(5-bromothiophen-2-yl)methyl]-3-(chloromethyl)benzamide
CID 54900304
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
CID 112750821
N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33172541
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103401936
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide (CID 32778548) is N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide is O=C(NCc1ccc(Br)s1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide?
The InChIKey is SDBYVRGCELQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2OS/c12-8-2-1-7(18-8)5-15-11(17)6-3-9(13)16-10(14)4-6/h1-4H,5H2,(H,15,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide has a molecular weight of 366.07 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide is sourced from PubChem (CID 32778548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).