(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone

C10H7Cl2NO2 — CID 130579287

IUPAC(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone
SMILESO=C(C1=COCC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-7-3-8(12)9(13-4-7)10(14)6-1-2-15-5-6/h3-5H,1-2H2
InChIKeySHSFYFXCCBXVDG-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.88
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone

(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone (PubChem CID 130579287) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone
PubChem CID130579287
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone
SMILESO=C(C1=COCC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-7-3-8(12)9(13-4-7)10(14)6-1-2-15-5-6/h3-5H,1-2H2
InChIKeySHSFYFXCCBXVDG-UHFFFAOYSA-N
XLogP2.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone (CID 130579287) is (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone is O=C(C1=COCC1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone?
The InChIKey is SHSFYFXCCBXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-7-3-8(12)9(13-4-7)10(14)6-1-2-15-5-6/h3-5H,1-2H2.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone?
(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone has a molecular weight of 244.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone is sourced from PubChem (CID 130579287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).