methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

C15H15BrN2O3 — CID 175275211

IUPACmethyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Br)cc1NCc1ccc(OC)cc1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-5-3-10(4-6-11)8-17-13-7-14(16)18-9-12(13)15(19)21-2/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyRTGKSCQQZNBWQW-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.25
Rot. Bonds5

About methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 175275211) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID175275211
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Namemethyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Br)cc1NCc1ccc(OC)cc1
InChIInChI=1S/C15H15BrN2O3/c1-20-11-5-3-10(4-6-11)8-17-13-7-14(16)18-9-12(13)15(19)21-2/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyRTGKSCQQZNBWQW-UHFFFAOYSA-N
XLogP3.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate
CID 149198292
methyl 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methylamino]benzoate
CID 129239172
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
methyl 4-acetamido-2-butoxy-5-[(4-methoxyphenyl)methylamino]benzoate
CID 154637702
methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
CID 59702062
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 89346524
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
methyl 6-bromo-4-iodopyridine-3-carboxylate
CID 86674963

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (CID 175275211) is methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is COC(=O)c1cnc(Br)cc1NCc1ccc(OC)cc1.
What is the InChIKey of methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is RTGKSCQQZNBWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-11-5-3-10(4-6-11)8-17-13-7-14(16)18-9-12(13)15(19)21-2/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 351.20 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 175275211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).