methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate

C10H6Br2N2O2 — CID 102941566

IUPACmethyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2cc(Br)cnc2c1Br
InChIInChI=1S/C10H6Br2N2O2/c1-16-10(15)6-4-13-7-2-5(11)3-14-9(7)8(6)12/h2-4H,1H3
InChIKeyRODKIARZXLCSMP-UHFFFAOYSA-N
MW345.98 g/mol
LogP2.94
Rot. Bonds1

About methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate

methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate (PubChem CID 102941566) has the molecular formula C10H6Br2N2O2 and a molecular weight of 345.98 g/mol. Its IUPAC name is methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
PubChem CID102941566
Molecular FormulaC10H6Br2N2O2
Molecular Weight345.98 g/mol
Exact Mass343.88
IUPAC Namemethyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2cc(Br)cnc2c1Br
InChIInChI=1S/C10H6Br2N2O2/c1-16-10(15)6-4-13-7-2-5(11)3-14-9(7)8(6)12/h2-4H,1H3
InChIKeyRODKIARZXLCSMP-UHFFFAOYSA-N
XLogP2.94
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.98
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
methyl 5-bromo-13-methoxy-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-10-carboxylate
CID 122687032
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
methyl 4-bromo-6-iodoquinoline-3-carboxylate
CID 102614458
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
CID 102614873
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
methyl 3-bromoquinoline-7-carboxylate
CID 117100290
methyl 5-bromo-2-[(1-cyanocyclopropyl)amino]pyridine-3-carboxylate
CID 170994093

Frequently Asked Questions

What is the IUPAC name of methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate (CID 102941566) is methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2cc(Br)cnc2c1Br.
What is the InChIKey of methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate?
The InChIKey is RODKIARZXLCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O2/c1-16-10(15)6-4-13-7-2-5(11)3-14-9(7)8(6)12/h2-4H,1H3.
What are the key properties of methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate?
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate has a molecular weight of 345.98 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 102941566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).