(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C10H11ClN2O2 — CID 106812646

IUPAC(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C10H11ClN2O2/c1-10(15)5-13(6-10)9(14)7-3-2-4-12-8(7)11/h2-4,15H,5-6H2,1H3
InChIKeyBIBFJDFFRBZNOI-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.94
Rot. Bonds1

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

(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 106812646) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID106812646
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C10H11ClN2O2/c1-10(15)5-13(6-10)9(14)7-3-2-4-12-8(7)11/h2-4,15H,5-6H2,1H3
InChIKeyBIBFJDFFRBZNOI-UHFFFAOYSA-N
XLogP0.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.94
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

(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 106812736
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone
CID 150421157
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(2-chloro-3-pyridinyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone
CID 2353198
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812606

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 106812646) is (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)c2cccnc2Cl)C1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is BIBFJDFFRBZNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-10(15)5-13(6-10)9(14)7-3-2-4-12-8(7)11/h2-4,15H,5-6H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 226.66 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 106812646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).