4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one

C13H12BrN3O — CID 168506372

IUPAC4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1nccc2cccnc12
InChIInChI=1S/C13H12BrN3O/c14-7-9-6-11(18)17(8-9)13-12-10(3-5-16-13)2-1-4-15-12/h1-5,9H,6-8H2
InChIKeyIMFSTVVGYHCJPC-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.38
Rot. Bonds2

About 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one (PubChem CID 168506372) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
PubChem CID168506372
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1nccc2cccnc12
InChIInChI=1S/C13H12BrN3O/c14-7-9-6-11(18)17(8-9)13-12-10(3-5-16-13)2-1-4-15-12/h1-5,9H,6-8H2
InChIKeyIMFSTVVGYHCJPC-UHFFFAOYSA-N
XLogP2.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683370
4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
CID 168505901
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-chloropyridine-3-carbaldehyde
CID 168506365
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one
CID 168504513
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671870
4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168504278

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one (CID 168506372) is 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1nccc2cccnc12.
What is the InChIKey of 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one?
The InChIKey is IMFSTVVGYHCJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-7-9-6-11(18)17(8-9)13-12-10(3-5-16-13)2-1-4-15-12/h1-5,9H,6-8H2.
What are the key properties of 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one has a molecular weight of 306.16 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one is sourced from PubChem (CID 168506372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).