(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C12H15ClN2O2 — CID 106812736

IUPAC(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C12H15ClN2O2/c1-8(2)12(17)6-15(7-12)11(16)9-4-3-5-14-10(9)13/h3-5,8,17H,6-7H2,1-2H3
InChIKeyVXZUASFXDCZYLI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.58
Rot. Bonds2

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

(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 106812736) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID106812736
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C12H15ClN2O2/c1-8(2)12(17)6-15(7-12)11(16)9-4-3-5-14-10(9)13/h3-5,8,17H,6-7H2,1-2H3
InChIKeyVXZUASFXDCZYLI-UHFFFAOYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.58
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-methylazetidin-1-yl)methanone
CID 106812646
(2-amino-3-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210813
1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 81477658
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210819
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
(2-chloro-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026054
4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33006202
(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone
CID 150421157
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120226

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 106812736) is (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)c2cccnc2Cl)C1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is VXZUASFXDCZYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(2)12(17)6-15(7-12)11(16)9-4-3-5-14-10(9)13/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.58, 2 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-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 106812736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).