1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one

C10H10ClN3O4 — CID 168663840

IUPAC1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H10ClN3O4/c11-8-2-7(14(17)18)3-12-10(8)13-4-6(5-15)1-9(13)16/h2-3,6,15H,1,4-5H2
InChIKeyCHKHDXCDSGGYHW-UHFFFAOYSA-N
MW271.66 g/mol
LogP0.99
Rot. Bonds3

About 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663840) has the molecular formula C10H10ClN3O4 and a molecular weight of 271.66 g/mol. Its IUPAC name is 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663840
Molecular FormulaC10H10ClN3O4
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC Name1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H10ClN3O4/c11-8-2-7(14(17)18)3-12-10(8)13-4-6(5-15)1-9(13)16/h2-3,6,15H,1,4-5H2
InChIKeyCHKHDXCDSGGYHW-UHFFFAOYSA-N
XLogP0.99
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-nitropyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663794
[1-(3-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673476
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663830
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-nitropyridine-3-carboxylate
CID 168662345
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663711
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-(chloromethyl)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168507973
1-(5-bromo-3-nitro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508675
4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168662648
6-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 168509177
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712669

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663840) is 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is CHKHDXCDSGGYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4/c11-8-2-7(14(17)18)3-12-10(8)13-4-6(5-15)1-9(13)16/h2-3,6,15H,1,4-5H2.
What are the key properties of 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 271.66 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).