(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone

C23H16FNO2 — CID 25129463

IUPAC(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1F
InChIInChI=1S/C23H16FNO2/c1-27-22-9-8-17(13-21(22)24)23(26)20-12-16-6-3-2-5-15(16)11-19(20)18-7-4-10-25-14-18/h2-14H,1H3
InChIKeyLASPENKOVSEGST-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.28
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone

(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone (PubChem CID 25129463) has the molecular formula C23H16FNO2 and a molecular weight of 357.38 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone
PubChem CID25129463
Molecular FormulaC23H16FNO2
Molecular Weight357.38 g/mol
Exact Mass357.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1F
InChIInChI=1S/C23H16FNO2/c1-27-22-9-8-17(13-21(22)24)23(26)20-12-16-6-3-2-5-15(16)11-19(20)18-7-4-10-25-14-18/h2-14H,1H3
InChIKeyLASPENKOVSEGST-UHFFFAOYSA-N
XLogP5.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone (CID 25129463) is (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone is COc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
The InChIKey is LASPENKOVSEGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO2/c1-27-22-9-8-17(13-21(22)24)23(26)20-12-16-6-3-2-5-15(16)11-19(20)18-7-4-10-25-14-18/h2-14H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone has a molecular weight of 357.38 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone is sourced from PubChem (CID 25129463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).