N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide

C11H9BrN2O2S — CID 63930382

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1cncc(O)c1
InChIInChI=1S/C11H9BrN2O2S/c12-8-2-10(17-6-8)5-14-11(16)7-1-9(15)4-13-3-7/h1-4,6,15H,5H2,(H,14,16)
InChIKeyUGTHVVPMBAKOIE-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.54
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 63930382) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
PubChem CID63930382
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1cncc(O)c1
InChIInChI=1S/C11H9BrN2O2S/c12-8-2-10(17-6-8)5-14-11(16)7-1-9(15)4-13-3-7/h1-4,6,15H,5H2,(H,14,16)
InChIKeyUGTHVVPMBAKOIE-UHFFFAOYSA-N
XLogP2.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 65244137
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
5-hydroxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63858732
5-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 63858903
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide (CID 63930382) is N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide is O=C(NCc1cc(Br)cs1)c1cncc(O)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is UGTHVVPMBAKOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-8-2-10(17-6-8)5-14-11(16)7-1-9(15)4-13-3-7/h1-4,6,15H,5H2,(H,14,16).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63930382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).