methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate

C15H15BrN2O3 — CID 91008132

IUPACmethyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(C)c(Br)nc(N)c1OCc1ccccc1
InChIInChI=1S/C15H15BrN2O3/c1-9-11(15(19)20-2)12(14(17)18-13(9)16)21-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,17,18)
InChIKeyJXZZJNKRJJZPQV-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.10
Rot. Bonds4

About methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate

methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate (PubChem CID 91008132) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
PubChem CID91008132
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Namemethyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(C)c(Br)nc(N)c1OCc1ccccc1
InChIInChI=1S/C15H15BrN2O3/c1-9-11(15(19)20-2)12(14(17)18-13(9)16)21-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,17,18)
InChIKeyJXZZJNKRJJZPQV-UHFFFAOYSA-N
XLogP3.10
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 88567035
methyl 1-amino-8-bromo-4-phenylmethoxyisoquinoline-3-carboxylate;2-methylprop-1-ene
CID 177154227
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate
CID 166479578
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide
CID 87130031
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
phenyl 5-bromo-4-(hydroxymethyl)-3-methoxy-2-methyl-6-phenylmethoxybenzoate
CID 58493299
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate (CID 91008132) is methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate is COC(=O)c1c(C)c(Br)nc(N)c1OCc1ccccc1.
What is the InChIKey of methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate?
The InChIKey is JXZZJNKRJJZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-9-11(15(19)20-2)12(14(17)18-13(9)16)21-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,17,18).
What are the key properties of methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate?
methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate has a molecular weight of 351.20 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate is sourced from PubChem (CID 91008132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).