1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one

C10H11ClN2O2 — CID 168664302

IUPAC1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O2/c11-8-1-2-12-9(4-8)13-5-7(6-14)3-10(13)15/h1-2,4,7,14H,3,5-6H2
InChIKeyBFSAFSVZMNTJIP-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.08
Rot. Bonds2

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

1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168664302) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168664302
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O2/c11-8-1-2-12-9(4-8)13-5-7(6-14)3-10(13)15/h1-2,4,7,14H,3,5-6H2
InChIKeyBFSAFSVZMNTJIP-UHFFFAOYSA-N
XLogP1.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168664287
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663357
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(6-amino-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664121
1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
4-hydroxy-1-[4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168704116
1-(5-chloro-1,3-benzoxazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664257
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663615
S-[[1-[4-(aminomethyl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667798
1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670249

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168664302) is 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is BFSAFSVZMNTJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-1-2-12-9(4-8)13-5-7(6-14)3-10(13)15/h1-2,4,7,14H,3,5-6H2.
What are the key properties of 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 226.66 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168664302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).