(5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone

C12H7ClF2N2O2 — CID 151220596

IUPAC(5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Cl)cn1)c1cccc(OC(F)F)n1
InChIInChI=1S/C12H7ClF2N2O2/c13-7-4-5-8(16-6-7)11(18)9-2-1-3-10(17-9)19-12(14)15/h1-6,12H
InChIKeyNMEYCVJZIRHVKM-UHFFFAOYSA-N
MW284.65 g/mol
LogP2.96
Rot. Bonds4

About (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone

(5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone (PubChem CID 151220596) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone
PubChem CID151220596
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Name(5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Cl)cn1)c1cccc(OC(F)F)n1
InChIInChI=1S/C12H7ClF2N2O2/c13-7-4-5-8(16-6-7)11(18)9-2-1-3-10(17-9)19-12(14)15/h1-6,12H
InChIKeyNMEYCVJZIRHVKM-UHFFFAOYSA-N
XLogP2.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone (CID 151220596) is (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone is O=C(c1ccc(Cl)cn1)c1cccc(OC(F)F)n1.
What is the InChIKey of (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone?
The InChIKey is NMEYCVJZIRHVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c13-7-4-5-8(16-6-7)11(18)9-2-1-3-10(17-9)19-12(14)15/h1-6,12H.
What are the key properties of (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone?
(5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone has a molecular weight of 284.65 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[6-(difluoromethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 151220596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).