N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide

C12H11BrN4O3 — CID 39447654

IUPACN'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1
InChIInChI=1S/C12H11BrN4O3/c1-20-10-3-2-7(5-15-10)11(18)16-17-12(19)9-4-8(13)6-14-9/h2-6,14H,1H3,(H,16,18)(H,17,19)
InChIKeyXFSANZZABCKQBN-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.26
Rot. Bonds3

About N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide

N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide (PubChem CID 39447654) 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)-6-methoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
PubChem CID39447654
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1
InChIInChI=1S/C12H11BrN4O3/c1-20-10-3-2-7(5-15-10)11(18)16-17-12(19)9-4-8(13)6-14-9/h2-6,14H,1H3,(H,16,18)(H,17,19)
InChIKeyXFSANZZABCKQBN-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

4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
5-bromo-N'-(4-bromo-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 9255864
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
4-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 134029250
N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide
CID 46556846
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9256346
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31421387
4-bromo-N'-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 39641079

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide (CID 39447654) is N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1.
What is the InChIKey of N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
The InChIKey is XFSANZZABCKQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c1-20-10-3-2-7(5-15-10)11(18)16-17-12(19)9-4-8(13)6-14-9/h2-6,14H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-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)-6-methoxypyridine-3-carbohydrazide is sourced from PubChem (CID 39447654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).