3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine

C14H17BrN4 — CID 107916511

IUPAC3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
SMILESCc1ccc(C(NN)c2cc(C)cnc2N)c(Br)c1
InChIInChI=1S/C14H17BrN4/c1-8-3-4-10(12(15)6-8)13(19-17)11-5-9(2)7-18-14(11)16/h3-7,13,19H,17H2,1-2H3,(H2,16,18)
InChIKeyROWQNNPMZJBJSA-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.60
Rot. Bonds3

About 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine

3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine (PubChem CID 107916511) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
PubChem CID107916511
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
SMILESCc1ccc(C(NN)c2cc(C)cnc2N)c(Br)c1
InChIInChI=1S/C14H17BrN4/c1-8-3-4-10(12(15)6-8)13(19-17)11-5-9(2)7-18-14(11)16/h3-7,13,19H,17H2,1-2H3,(H2,16,18)
InChIKeyROWQNNPMZJBJSA-UHFFFAOYSA-N
XLogP2.60
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[hydrazinyl-(2-methoxy-4-methylphenyl)methyl]-5-methylpyridin-2-amine
CID 106793879
3-[(2-fluorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105216979
3-[(2-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105211209
3-[furan-2-yl(hydrazinyl)methyl]-5-methylpyridin-2-amine
CID 105213707
[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286712
[(2-bromo-4-methylphenyl)-phenylmethyl]hydrazine
CID 105282916
[(2-bromo-4-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105292323
[(2-bromo-4-methylphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287348
[(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302771
[(2-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105281300
3-[(3-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105194796
[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288068

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine (CID 107916511) is 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine is Cc1ccc(C(NN)c2cc(C)cnc2N)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine?
The InChIKey is ROWQNNPMZJBJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-8-3-4-10(12(15)6-8)13(19-17)11-5-9(2)7-18-14(11)16/h3-7,13,19H,17H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine?
3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-methylphenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 107916511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).