(3,6-difluoro-2-pyridinyl)-phenylmethanone

C12H7F2NO — CID 54445780

IUPAC(3,6-difluoro-2-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nc(F)ccc1F
InChIInChI=1S/C12H7F2NO/c13-9-6-7-10(14)15-11(9)12(16)8-4-2-1-3-5-8/h1-7H
InChIKeyWRJZKLAJTFMIPN-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.59
Rot. Bonds2

About (3,6-difluoro-2-pyridinyl)-phenylmethanone

(3,6-difluoro-2-pyridinyl)-phenylmethanone (PubChem CID 54445780) has the molecular formula C12H7F2NO and a molecular weight of 219.19 g/mol. Its IUPAC name is (3,6-difluoro-2-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(3,6-difluoro-2-pyridinyl)-phenylmethanone
PubChem CID54445780
Molecular FormulaC12H7F2NO
Molecular Weight219.19 g/mol
Exact Mass219.05
IUPAC Name(3,6-difluoro-2-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nc(F)ccc1F
InChIInChI=1S/C12H7F2NO/c13-9-6-7-10(14)15-11(9)12(16)8-4-2-1-3-5-8/h1-7H
InChIKeyWRJZKLAJTFMIPN-UHFFFAOYSA-N
XLogP2.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,6-difluoro-2-pyridinyl)-phenylmethanone?
The IUPAC name of (3,6-difluoro-2-pyridinyl)-phenylmethanone (CID 54445780) is (3,6-difluoro-2-pyridinyl)-phenylmethanone.
What is the SMILES notation for (3,6-difluoro-2-pyridinyl)-phenylmethanone?
The canonical SMILES for (3,6-difluoro-2-pyridinyl)-phenylmethanone is O=C(c1ccccc1)c1nc(F)ccc1F.
What is the InChIKey of (3,6-difluoro-2-pyridinyl)-phenylmethanone?
The InChIKey is WRJZKLAJTFMIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO/c13-9-6-7-10(14)15-11(9)12(16)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (3,6-difluoro-2-pyridinyl)-phenylmethanone?
(3,6-difluoro-2-pyridinyl)-phenylmethanone has a molecular weight of 219.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-difluoro-2-pyridinyl)-phenylmethanone is sourced from PubChem (CID 54445780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).