ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate

C10H15BrN2O2 — CID 170576528

IUPACethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1nc(C)c(Br)cc1N
InChIInChI=1S/C8H9BrN2O2.C2H6/c1-4-5(9)3-6(10)7(11-4)8(12)13-2;1-2/h3H,10H2,1-2H3;1-2H3
InChIKeyMXUCDMFFPGPSPE-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.55
Rot. Bonds1

About ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate

ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate (PubChem CID 170576528) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
PubChem CID170576528
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Nameethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1nc(C)c(Br)cc1N
InChIInChI=1S/C8H9BrN2O2.C2H6/c1-4-5(9)3-6(10)7(11-4)8(12)13-2;1-2/h3H,10H2,1-2H3;1-2H3
InChIKeyMXUCDMFFPGPSPE-UHFFFAOYSA-N
XLogP2.55
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 159313414
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
CID 129415851
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
CID 142367193
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate
CID 105465498

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate?
The IUPAC name of ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate (CID 170576528) is ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate is CC.COC(=O)c1nc(C)c(Br)cc1N.
What is the InChIKey of ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate?
The InChIKey is MXUCDMFFPGPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2.C2H6/c1-4-5(9)3-6(10)7(11-4)8(12)13-2;1-2/h3H,10H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate?
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate has a molecular weight of 275.15 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 170576528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).