(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone

C11H12ClNO2 — CID 107138539

IUPAC(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone
SMILESO=C(c1ccncc1Cl)C1CCCOC1
InChIInChI=1S/C11H12ClNO2/c12-10-6-13-4-3-9(10)11(14)8-2-1-5-15-7-8/h3-4,6,8H,1-2,5,7H2
InChIKeyAOEIIUZKVQDJPO-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.34
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone

(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone (PubChem CID 107138539) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone
PubChem CID107138539
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone
SMILESO=C(c1ccncc1Cl)C1CCCOC1
InChIInChI=1S/C11H12ClNO2/c12-10-6-13-4-3-9(10)11(14)8-2-1-5-15-7-8/h3-4,6,8H,1-2,5,7H2
InChIKeyAOEIIUZKVQDJPO-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methanone
CID 107138527
(3-chloro-4-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 105105379
(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
CID 122164181
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 66482961
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626691
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
CID 107139487
(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone
CID 107138570
oxan-3-yl(phenyl)methanone
CID 63011351
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone (CID 107138539) is (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone is O=C(c1ccncc1Cl)C1CCCOC1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone?
The InChIKey is AOEIIUZKVQDJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-10-6-13-4-3-9(10)11(14)8-2-1-5-15-7-8/h3-4,6,8H,1-2,5,7H2.
What are the key properties of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone?
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone has a molecular weight of 225.67 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).