(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C11H13ClN2O2 — CID 103727395

IUPAC(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C11H13ClN2O2/c1-11(16)4-5-14(7-11)10(15)9-3-2-8(12)6-13-9/h2-3,6,16H,4-5,7H2,1H3
InChIKeyNVJGABATNZFNLC-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.33
Rot. Bonds1

About (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103727395) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103727395
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C11H13ClN2O2/c1-11(16)4-5-14(7-11)10(15)9-3-2-8(12)6-13-9/h2-3,6,16H,4-5,7H2,1H3
InChIKeyNVJGABATNZFNLC-UHFFFAOYSA-N
XLogP1.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
CID 113364813
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107322971
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060
2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598609
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-chloro-2-pyridinyl)methanone
CID 81098091
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461122

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103727395) is (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2ccc(Cl)cn2)C1.
What is the InChIKey of (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is NVJGABATNZFNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-11(16)4-5-14(7-11)10(15)9-3-2-8(12)6-13-9/h2-3,6,16H,4-5,7H2,1H3.
What are the key properties of (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103727395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).