(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone

C14H13FN2O2 — CID 114270328

IUPAC(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
SMILESCOc1nccc(C(=O)c2ncc(C)cc2C)c1F
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2)12(17-7-8)13(18)10-4-5-16-14(19-3)11(10)15/h4-7H,1-3H3
InChIKeyVHNPQDANFSHKPF-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.47
Rot. Bonds3

About (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone

(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone (PubChem CID 114270328) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
PubChem CID114270328
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
SMILESCOc1nccc(C(=O)c2ncc(C)cc2C)c1F
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2)12(17-7-8)13(18)10-4-5-16-14(19-3)11(10)15/h4-7H,1-3H3
InChIKeyVHNPQDANFSHKPF-UHFFFAOYSA-N
XLogP2.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
The IUPAC name of (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone (CID 114270328) is (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone is COc1nccc(C(=O)c2ncc(C)cc2C)c1F.
What is the InChIKey of (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
The InChIKey is VHNPQDANFSHKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-6-9(2)12(17-7-8)13(18)10-4-5-16-14(19-3)11(10)15/h4-7H,1-3H3.
What are the key properties of (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone has a molecular weight of 260.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 114270328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).