N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H8BrF3N2OS — CID 47250304

IUPACN-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H8BrF3N2OS/c13-8-3-9(20-6-8)5-18-11(19)7-1-2-10(17-4-7)12(14,15)16/h1-4,6H,5H2,(H,18,19)
InChIKeyZDVYDLSKFANOGE-UHFFFAOYSA-N
MW365.17 g/mol
LogP3.85
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 47250304) has the molecular formula C12H8BrF3N2OS and a molecular weight of 365.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID47250304
Molecular FormulaC12H8BrF3N2OS
Molecular Weight365.17 g/mol
Exact Mass363.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H8BrF3N2OS/c13-8-3-9(20-6-8)5-18-11(19)7-1-2-10(17-4-7)12(14,15)16/h1-4,6H,5H2,(H,18,19)
InChIKeyZDVYDLSKFANOGE-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63930382
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide
CID 47250267
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119101817
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 71844437
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47291490
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998997

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 47250304) is N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1cc(Br)cs1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZDVYDLSKFANOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2OS/c13-8-3-9(20-6-8)5-18-11(19)7-1-2-10(17-4-7)12(14,15)16/h1-4,6H,5H2,(H,18,19).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.17 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 47250304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).