methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate

C14H13BrN2O3 — CID 114409176

IUPACmethyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H13BrN2O3/c1-19-14(18)12-6-5-11(16)13(17-12)20-8-9-3-2-4-10(15)7-9/h2-7H,8,16H2,1H3
InChIKeyHRTLMBXSNUBGCL-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.79
Rot. Bonds4

About methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate

methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate (PubChem CID 114409176) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate
PubChem CID114409176
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Namemethyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H13BrN2O3/c1-19-14(18)12-6-5-11(16)13(17-12)20-8-9-3-2-4-10(15)7-9/h2-7H,8,16H2,1H3
InChIKeyHRTLMBXSNUBGCL-UHFFFAOYSA-N
XLogP2.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 5-amino-6-(3-phenylpropoxy)pyridine-2-carboxylate
CID 114408903
6-[(3-bromophenyl)methoxy]-2-methoxypyridin-3-amine
CID 82827567
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
CID 114408445
5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
methyl 5-amino-6-[3-(dimethylamino)propoxy]pyridine-2-carboxylate
CID 114408846
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617
6-[(3-bromophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82804375
methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
CID 114409015

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate (CID 114409176) is methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(OCc2cccc(Br)c2)n1.
What is the InChIKey of methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate?
The InChIKey is HRTLMBXSNUBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-14(18)12-6-5-11(16)13(17-12)20-8-9-3-2-4-10(15)7-9/h2-7H,8,16H2,1H3.
What are the key properties of methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate?
methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate has a molecular weight of 337.17 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 114409176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).