N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide

C12H11BrN4O3 — CID 46556846

IUPACN'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide
SMILESCOc1ncccc1C(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H11BrN4O3/c1-20-12-8(3-2-4-14-12)10(18)16-17-11(19)9-5-7(13)6-15-9/h2-6,15H,1H3,(H,16,18)(H,17,19)
InChIKeyAXRPSVJEUCESMQ-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.26
Rot. Bonds3

About N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide

N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide (PubChem CID 46556846) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide
PubChem CID46556846
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide
SMILESCOc1ncccc1C(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H11BrN4O3/c1-20-12-8(3-2-4-14-12)10(18)16-17-11(19)9-5-7(13)6-15-9/h2-6,15H,1H3,(H,16,18)(H,17,19)
InChIKeyAXRPSVJEUCESMQ-UHFFFAOYSA-N
XLogP1.26
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide
CID 31598186
4-bromo-N'-(2,3-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31421337
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654
4-bromo-N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31116513
4-bromo-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34280698
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
N-(4-bromo-2-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 82695069
2-methoxy-N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 134062108
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
CID 62874469
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide (CID 46556846) is N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide is COc1ncccc1C(=O)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide?
The InChIKey is AXRPSVJEUCESMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c1-20-12-8(3-2-4-14-12)10(18)16-17-11(19)9-5-7(13)6-15-9/h2-6,15H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide?
N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide has a molecular weight of 339.15 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide is sourced from PubChem (CID 46556846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).