[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

C20H17FN2O2 — CID 132991415

IUPAC[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCN(C)c1cccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3
InChIKeyXIKKCJDNMCSKRW-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.89
Rot. Bonds4

About [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (PubChem CID 132991415) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
PubChem CID132991415
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCN(C)c1cccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3
InChIKeyXIKKCJDNMCSKRW-UHFFFAOYSA-N
XLogP3.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone with MolForge

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Related Compounds

(4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(2-Fluoranyl-3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 122707109
(4-Fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
CID 134158357
(4-Fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
CID 134158358
2-(4-Fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile
CID 134158360
[2,3-Bis(Oxidanyl)phenyl]-[6-(2-Fluoranyl-3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 135567095
[6-(3,4-Dihydroxyphenyl)pyridin-2-Yl](4-Fluoro-3-Hydroxyphenyl)methanone
CID 135567153
(4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(3-Methyl-4-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 135567209
[4-Fluoranyl-2,3-Bis(Oxidanyl)phenyl]-[6-(2-Fluoranyl-3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 135567210
[5-(4-Hydroxy-3-methylphenyl)-2-pyridinyl]-(3-hydroxyphenyl)methanone
CID 56969902
(4-Fluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone
CID 56969903
(4-Fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone
CID 132991416
(4-Fluoro-3-hydroxyphenyl)-[5-(3-fluoro-4-hydroxyphenyl)-2-pyridinyl]methanone
CID 134132086

Frequently Asked Questions

What is the IUPAC name of [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (CID 132991415) is [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is CN(C)c1cccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)c1.
What is the InChIKey of [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The InChIKey is XIKKCJDNMCSKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3.
What are the key properties of [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone has a molecular weight of 336.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 132991415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).