methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate

C13H13BrN2O3S — CID 166357842

IUPACmethyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CNc2ccc(Br)c(OC)n2)cs1
InChIInChI=1S/C13H13BrN2O3S/c1-18-12-9(14)3-4-11(16-12)15-6-8-5-10(20-7-8)13(17)19-2/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyLAYVSDGENMJDHP-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.31
Rot. Bonds5

About methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate

methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate (PubChem CID 166357842) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate
PubChem CID166357842
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Namemethyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CNc2ccc(Br)c(OC)n2)cs1
InChIInChI=1S/C13H13BrN2O3S/c1-18-12-9(14)3-4-11(16-12)15-6-8-5-10(20-7-8)13(17)19-2/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyLAYVSDGENMJDHP-UHFFFAOYSA-N
XLogP3.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate
CID 118135551
ethane;methyl 4-ethylthiophene-2-carboxylate
CID 143588427
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 162052936
methyl 6-acetamido-3-bromopyridine-2-carboxylate
CID 10492453
methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
4-[(methoxycarbonylamino)methyl]thiophene-2-carboxylic acid
CID 84680930
methyl 6-bromo-7-methoxy-1-benzothiophene-2-carboxylate
CID 121413713
N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499167
methyl 3-bromo-6-(5-chloropentylamino)pyridine-2-carboxylate
CID 164864401

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate (CID 166357842) is methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate is COC(=O)c1cc(CNc2ccc(Br)c(OC)n2)cs1.
What is the InChIKey of methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate?
The InChIKey is LAYVSDGENMJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-18-12-9(14)3-4-11(16-12)15-6-8-5-10(20-7-8)13(17)19-2/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate?
methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate has a molecular weight of 357.23 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 166357842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).