1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one

C13H18BrN2OP — CID 20824337

IUPAC1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one
SMILESO=C(CBr)CCCc1ccc2c(n1)N(P)CCC2
InChIInChI=1S/C13H18BrN2OP/c14-9-12(17)5-1-4-11-7-6-10-3-2-8-16(18)13(10)15-11/h6-7H,1-5,8-9,18H2
InChIKeyKEBAZPJLRIMAJU-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.91
Rot. Bonds5

About 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one

1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one (PubChem CID 20824337) has the molecular formula C13H18BrN2OP and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one
PubChem CID20824337
Molecular FormulaC13H18BrN2OP
Molecular Weight329.18 g/mol
Exact Mass328.03
IUPAC Name1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one
SMILESO=C(CBr)CCCc1ccc2c(n1)N(P)CCC2
InChIInChI=1S/C13H18BrN2OP/c14-9-12(17)5-1-4-11-7-6-10-3-2-8-16(18)13(10)15-11/h6-7H,1-5,8-9,18H2
InChIKeyKEBAZPJLRIMAJU-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(8-bromo-6,7-dihydro-5H-1,8-naphthyridin-2-yl)butan-2-one
CID 91174910
5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 169021469
lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 168874390
1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol
CID 20824336
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
1-(azetidin-3-yl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentan-2-one
CID 158030932
tert-butyl 7-(4-prop-2-enoxybutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146551735
tert-butyl 2-(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)acetate
CID 170260751
7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
CID 68509915
1-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-one
CID 158081420
7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
CID 175201524

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one?
The IUPAC name of 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one (CID 20824337) is 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one.
What is the SMILES notation for 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one?
The canonical SMILES for 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one is O=C(CBr)CCCc1ccc2c(n1)N(P)CCC2.
What is the InChIKey of 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one?
The InChIKey is KEBAZPJLRIMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN2OP/c14-9-12(17)5-1-4-11-7-6-10-3-2-8-16(18)13(10)15-11/h6-7H,1-5,8-9,18H2.
What are the key properties of 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one?
1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one has a molecular weight of 329.18 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)pentan-2-one is sourced from PubChem (CID 20824337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).