3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide

C13H13BrN4O — CID 67250791

IUPAC3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide
SMILESCc1cc(Br)ccc1Nc1cnccc1C(=O)NN
InChIInChI=1S/C13H13BrN4O/c1-8-6-9(14)2-3-11(8)17-12-7-16-5-4-10(12)13(19)18-15/h2-7,17H,15H2,1H3,(H,18,19)
InChIKeyRIXQLXQWHGKQDW-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.50
Rot. Bonds3

About 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide

3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide (PubChem CID 67250791) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide
PubChem CID67250791
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide
SMILESCc1cc(Br)ccc1Nc1cnccc1C(=O)NN
InChIInChI=1S/C13H13BrN4O/c1-8-6-9(14)2-3-11(8)17-12-7-16-5-4-10(12)13(19)18-15/h2-7,17H,15H2,1H3,(H,18,19)
InChIKeyRIXQLXQWHGKQDW-UHFFFAOYSA-N
XLogP2.50
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
3-(2,4-dimethylanilino)pyridine-4-carbothioamide
CID 114288096
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
N-(2,4-dibromophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442512
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide
CID 118486060
N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069309
N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
CID 113050148
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071856
2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 22225998

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide?
The IUPAC name of 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide (CID 67250791) is 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide.
What is the SMILES notation for 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide?
The canonical SMILES for 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide is Cc1cc(Br)ccc1Nc1cnccc1C(=O)NN.
What is the InChIKey of 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide?
The InChIKey is RIXQLXQWHGKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-6-9(14)2-3-11(8)17-12-7-16-5-4-10(12)13(19)18-15/h2-7,17H,15H2,1H3,(H,18,19).
What are the key properties of 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide?
3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide has a molecular weight of 321.18 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide is sourced from PubChem (CID 67250791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).