4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one

C10H11Cl2N3O — CID 168660485

IUPAC4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(Cl)ccnc2Cl)C1
InChIInChI=1S/C10H11Cl2N3O/c11-7-1-2-14-10(12)9(7)15-5-6(4-13)3-8(15)16/h1-2,6H,3-5,13H2
InChIKeyFJTASFIEIOBOEF-UHFFFAOYSA-N
MW260.12 g/mol
LogP1.70
Rot. Bonds2

About 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one

4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168660485) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
PubChem CID168660485
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(Cl)ccnc2Cl)C1
InChIInChI=1S/C10H11Cl2N3O/c11-7-1-2-14-10(12)9(7)15-5-6(4-13)3-8(15)16/h1-2,6H,3-5,13H2
InChIKeyFJTASFIEIOBOEF-UHFFFAOYSA-N
XLogP1.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
CID 65475154
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
CID 168661017
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
[1-(2-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676030
1-(4-amino-2-chloro-3-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502469
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-chloropyridine-3-carbaldehyde
CID 168506365
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one (CID 168660485) is 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one is NCC1CC(=O)N(c2c(Cl)ccnc2Cl)C1.
What is the InChIKey of 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is FJTASFIEIOBOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c11-7-1-2-14-10(12)9(7)15-5-6(4-13)3-8(15)16/h1-2,6H,3-5,13H2.
What are the key properties of 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 260.12 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168660485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).