4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one

C10H9Cl2F2N3O — CID 168660467

IUPAC4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(Cl)c(F)nc(F)c2Cl)C1
InChIInChI=1S/C10H9Cl2F2N3O/c11-6-8(7(12)10(14)16-9(6)13)17-3-4(2-15)1-5(17)18/h4H,1-3,15H2
InChIKeyKOMXXOKJHNMGOK-UHFFFAOYSA-N
MW296.10 g/mol
LogP1.98
Rot. Bonds2

About 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one

4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one (PubChem CID 168660467) has the molecular formula C10H9Cl2F2N3O and a molecular weight of 296.10 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
PubChem CID168660467
Molecular FormulaC10H9Cl2F2N3O
Molecular Weight296.10 g/mol
Exact Mass295.01
IUPAC Name4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(Cl)c(F)nc(F)c2Cl)C1
InChIInChI=1S/C10H9Cl2F2N3O/c11-6-8(7(12)10(14)16-9(6)13)17-3-4(2-15)1-5(17)18/h4H,1-3,15H2
InChIKeyKOMXXOKJHNMGOK-UHFFFAOYSA-N
XLogP1.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 51.98
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-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168688905
4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
CID 168660507
4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
CID 168660485
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
1-(2-amino-4-bromo-6-fluorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661085
4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
CID 65475154
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664
4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
CID 168660608
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one (CID 168660467) is 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one is NCC1CC(=O)N(c2c(Cl)c(F)nc(F)c2Cl)C1.
What is the InChIKey of 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
The InChIKey is KOMXXOKJHNMGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2N3O/c11-6-8(7(12)10(14)16-9(6)13)17-3-4(2-15)1-5(17)18/h4H,1-3,15H2.
What are the key properties of 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one has a molecular weight of 296.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168660467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).