potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate

C52H46Br3F4KN12O8 — CID 159364763

IUPACpotassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate
SMILESBrc1cnc2c(c1)CCCN2.CCOC(=O)c1c(F)cncc1Br.COC(=O)c1c(F)cncc1-c1cnc2c(c1)CCCN2C(N)=O.Fc1cncc(Br)c1.NC(=O)N1CCCc2cc(-c3cncc(F)c3C(=O)[O-])cnc21.[K+]
InChIInChI=1S/C16H15FN4O3.C15H13FN4O3.C8H7BrFNO2.C8H9BrN2.C5H3BrFN.K/c1-24-15(22)13-11(7-19-8-12(13)17)10-5-9-3-2-4-21(16(18)23)14(9)20-6-10;16-11-7-18-6-10(12(11)14(21)22)9-4-8-2-1-3-20(15(17)23)13(8)19-5-9;1-2-13-8(12)7-5(9)3-11-4-6(7)10;9-7-4-6-2-1-3-10-8(6)11-5-7;6-4-1-5(7)3-8-2-4;/h5-8H,2-4H2,1H3,(H2,18,23);4-7H,1-3H2,(H2,17,23)(H,21,22);3-4H,2H2,1H3;4-5H,1-3H2,(H,10,11);1-3H;/q;;;;;+1/p-1
InChIKeyPTAQUVRXPBQYLN-UHFFFAOYSA-M
MW1321.82 g/mol
LogP5.73
Rot. Bonds6

About potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate

potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate (PubChem CID 159364763) has the molecular formula C52H46Br3F4KN12O8 and a molecular weight of 1321.82 g/mol. Its IUPAC name is potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namepotassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate
PubChem CID159364763
Molecular FormulaC52H46Br3F4KN12O8
Molecular Weight1321.82 g/mol
Exact Mass1318.07
IUPAC Namepotassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate
SMILESBrc1cnc2c(c1)CCCN2.CCOC(=O)c1c(F)cncc1Br.COC(=O)c1c(F)cncc1-c1cnc2c(c1)CCCN2C(N)=O.Fc1cncc(Br)c1.NC(=O)N1CCCc2cc(-c3cncc(F)c3C(=O)[O-])cnc21.[K+]
InChIInChI=1S/C16H15FN4O3.C15H13FN4O3.C8H7BrFNO2.C8H9BrN2.C5H3BrFN.K/c1-24-15(22)13-11(7-19-8-12(13)17)10-5-9-3-2-4-21(16(18)23)14(9)20-6-10;16-11-7-18-6-10(12(11)14(21)22)9-4-8-2-1-3-20(15(17)23)13(8)19-5-9;1-2-13-8(12)7-5(9)3-11-4-6(7)10;9-7-4-6-2-1-3-10-8(6)11-5-7;6-4-1-5(7)3-8-2-4;/h5-8H,2-4H2,1H3,(H2,18,23);4-7H,1-3H2,(H2,17,23)(H,21,22);3-4H,2H2,1H3;4-5H,1-3H2,(H,10,11);1-3H;/q;;;;;+1/p-1
InChIKeyPTAQUVRXPBQYLN-UHFFFAOYSA-M
XLogP5.73
TPSA287.65 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.82
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate?
The IUPAC name of potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate (CID 159364763) is potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate.
What is the SMILES notation for potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate?
The canonical SMILES for potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate is Brc1cnc2c(c1)CCCN2.CCOC(=O)c1c(F)cncc1Br.COC(=O)c1c(F)cncc1-c1cnc2c(c1)CCCN2C(N)=O.Fc1cncc(Br)c1.NC(=O)N1CCCc2cc(-c3cncc(F)c3C(=O)[O-])cnc21.[K+].
What is the InChIKey of potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate?
The InChIKey is PTAQUVRXPBQYLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15FN4O3.C15H13FN4O3.C8H7BrFNO2.C8H9BrN2.C5H3BrFN.K/c1-24-15(22)13-11(7-19-8-12(13)17)10-5-9-3-2-4-21(16(18)23)14(9)20-6-10;16-11-7-18-6-10(12(11)14(21)22)9-4-8-2-1-3-20(15(17)23)13(8)19-5-9;1-2-13-8(12)7-5(9)3-11-4-6(7)10;9-7-4-6-2-1-3-10-8(6)11-5-7;6-4-1-5(7)3-8-2-4;/h5-8H,2-4H2,1H3,(H2,18,23);4-7H,1-3H2,(H2,17,23)(H,21,22);3-4H,2H2,1H3;4-5H,1-3H2,(H,10,11);1-3H;/q;;;;;+1/p-1.
What are the key properties of potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate?
potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate has a molecular weight of 1321.82 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-bromo-5-fluoropyridine;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate;ethyl 3-bromo-5-fluoropyridine-4-carboxylate;methyl 3-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-fluoropyridine-4-carboxylate is sourced from PubChem (CID 159364763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).