(5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

C11H10ClNO2 — CID 131141074

IUPAC(5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)c1cncc(Cl)c1
InChIInChI=1S/C11H10ClNO2/c12-10-4-9(5-13-6-10)11(14)8-2-1-3-15-7-8/h4-7H,1-3H2
InChIKeyPPGSPZVGBOPXKT-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.61
Rot. Bonds2

About (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

(5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 131141074) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID131141074
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)c1cncc(Cl)c1
InChIInChI=1S/C11H10ClNO2/c12-10-4-9(5-13-6-10)11(14)8-2-1-3-15-7-8/h4-7H,1-3H2
InChIKeyPPGSPZVGBOPXKT-UHFFFAOYSA-N
XLogP2.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone
CID 105127434
3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone
CID 162283979
3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone
CID 115798228
(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 131142428
(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579287
(4-amino-3-bromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 116582131
3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone
CID 105127375
5-chloro-N-hydroxypyridine-3-carboxamide
CID 130672064
(3,5-difluorophenyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579213
cyclopenten-1-yl-(5-fluoro-3-pyridinyl)methanone
CID 103448129
1-(5-chloro-3-pyridinyl)-2-methylpropan-1-one
CID 131025177
(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 113370510

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 131141074) is (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is O=C(C1=COCCC1)c1cncc(Cl)c1.
What is the InChIKey of (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is PPGSPZVGBOPXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-10-4-9(5-13-6-10)11(14)8-2-1-3-15-7-8/h4-7H,1-3H2.
What are the key properties of (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
(5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 223.66 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 131141074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).