1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol

C20H16FNO — CID 20663173

IUPAC1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol
SMILESC#CC(O)Cc1ccc(-c2ccc3cc(C)cc(F)c3c2)nc1
InChIInChI=1S/C20H16FNO/c1-3-17(23)10-14-4-7-20(22-12-14)16-6-5-15-8-13(2)9-19(21)18(15)11-16/h1,4-9,11-12,17,23H,10H2,2H3
InChIKeyDITWELBGRVFEGE-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.89
Rot. Bonds3

About 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol

1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol (PubChem CID 20663173) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol.

Molecular Properties

Compound Name1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol
PubChem CID20663173
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol
SMILESC#CC(O)Cc1ccc(-c2ccc3cc(C)cc(F)c3c2)nc1
InChIInChI=1S/C20H16FNO/c1-3-17(23)10-14-4-7-20(22-12-14)16-6-5-15-8-13(2)9-19(21)18(15)11-16/h1,4-9,11-12,17,23H,10H2,2H3
InChIKeyDITWELBGRVFEGE-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methylquinoxalin-6-yl)phenyl]but-3-yn-2-ol
CID 20663108
1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium
CID 159840494
1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol
CID 20663028
1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol
CID 157350746
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol
CID 159844667
7-chloro-1-fluoro-3-methylnaphthalene
CID 58839538
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine
CID 139859162
5-(2-fluoro-4-methylphenyl)-2-(3-fluoro-4-methylphenyl)pyridine
CID 54326590
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-propylpyridine
CID 139872572
2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine
CID 139874423

Frequently Asked Questions

What is the IUPAC name of 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol?
The IUPAC name of 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol (CID 20663173) is 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol.
What is the SMILES notation for 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol?
The canonical SMILES for 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol is C#CC(O)Cc1ccc(-c2ccc3cc(C)cc(F)c3c2)nc1.
What is the InChIKey of 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol?
The InChIKey is DITWELBGRVFEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO/c1-3-17(23)10-14-4-7-20(22-12-14)16-6-5-15-8-13(2)9-19(21)18(15)11-16/h1,4-9,11-12,17,23H,10H2,2H3.
What are the key properties of 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol?
1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol has a molecular weight of 305.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol is sourced from PubChem (CID 20663173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).