(5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone

C12H14FNO2 — CID 80690971

IUPAC(5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cncc(F)c2)CCCCO1
InChIInChI=1S/C12H14FNO2/c1-12(4-2-3-5-16-12)11(15)9-6-10(13)8-14-7-9/h6-8H,2-5H2,1H3
InChIKeyJXTMDHCXDRMZLN-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.36
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone

(5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone (PubChem CID 80690971) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone
PubChem CID80690971
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cncc(F)c2)CCCCO1
InChIInChI=1S/C12H14FNO2/c1-12(4-2-3-5-16-12)11(15)9-6-10(13)8-14-7-9/h6-8H,2-5H2,1H3
InChIKeyJXTMDHCXDRMZLN-UHFFFAOYSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone (CID 80690971) is (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone is CC1(C(=O)c2cncc(F)c2)CCCCO1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone?
The InChIKey is JXTMDHCXDRMZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(4-2-3-5-16-12)11(15)9-6-10(13)8-14-7-9/h6-8H,2-5H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone?
(5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone has a molecular weight of 223.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 80690971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).