N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide

C12H10BrN3O2 — CID 113349996

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C12H10BrN3O2/c1-7-10(2-3-11(13)15-7)16-12(18)8-4-9(17)6-14-5-8/h2-6,17H,1H3,(H,16,18)
InChIKeySHCSBGHCPQWVRQ-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.51
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide (PubChem CID 113349996) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
PubChem CID113349996
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C12H10BrN3O2/c1-7-10(2-3-11(13)15-7)16-12(18)8-4-9(17)6-14-5-8/h2-6,17H,1H3,(H,16,18)
InChIKeySHCSBGHCPQWVRQ-UHFFFAOYSA-N
XLogP2.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide
CID 113358735
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634
N-(2-bromo-4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 55257449
5-hydroxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 63860452
methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
CID 63859252
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860296
5-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 63860127
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
N-(2,5-difluoro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 103586314
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide (CID 113349996) is N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide is Cc1nc(Br)ccc1NC(=O)c1cncc(O)c1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is SHCSBGHCPQWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-7-10(2-3-11(13)15-7)16-12(18)8-4-9(17)6-14-5-8/h2-6,17H,1H3,(H,16,18).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 113349996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).