(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone

C14H13FN2O2 — CID 114270645

IUPAC(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
SMILESCCOc1nccc(C(=O)c2ccnc(C)c2)c1F
InChIInChI=1S/C14H13FN2O2/c1-3-19-14-12(15)11(5-7-17-14)13(18)10-4-6-16-9(2)8-10/h4-8H,3H2,1-2H3
InChIKeyNMFWQOIZARZEEW-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.55
Rot. Bonds4

About (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone

(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 114270645) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
PubChem CID114270645
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
SMILESCCOc1nccc(C(=O)c2ccnc(C)c2)c1F
InChIInChI=1S/C14H13FN2O2/c1-3-19-14-12(15)11(5-7-17-14)13(18)10-4-6-16-9(2)8-10/h4-8H,3H2,1-2H3
InChIKeyNMFWQOIZARZEEW-UHFFFAOYSA-N
XLogP2.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 106754774
2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176
(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
CID 114270603
1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one
CID 114270335
(2-methyl-4-pyridinyl)-phenylmethanone
CID 12913274
(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
CID 114270328
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
1-ethoxyisoquinoline-6-carboxylic acid
CID 82569742
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
1-(2-methyl-4-pyridinyl)but-3-yn-1-one
CID 106754540

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone (CID 114270645) is (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone is CCOc1nccc(C(=O)c2ccnc(C)c2)c1F.
What is the InChIKey of (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is NMFWQOIZARZEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-3-19-14-12(15)11(5-7-17-14)13(18)10-4-6-16-9(2)8-10/h4-8H,3H2,1-2H3.
What are the key properties of (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 260.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 114270645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).