1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol

C21H20F3NO — CID 135618705

IUPAC1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol
SMILESCCCCCCc1ccc(-c2ccc3c(F)c(O)c(F)cc3c2)nc1F
InChIInChI=1S/C21H20F3NO/c1-2-3-4-5-6-13-8-10-18(25-21(13)24)14-7-9-16-15(11-14)12-17(22)20(26)19(16)23/h7-12,26H,2-6H2,1H3
InChIKeyZQHOWZNJVLAESN-UHFFFAOYSA-N
MW359.39 g/mol
LogP6.15
Rot. Bonds6

About 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol

1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol (PubChem CID 135618705) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol.

Molecular Properties

Compound Name1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol
PubChem CID135618705
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol
SMILESCCCCCCc1ccc(-c2ccc3c(F)c(O)c(F)cc3c2)nc1F
InChIInChI=1S/C21H20F3NO/c1-2-3-4-5-6-13-8-10-18(25-21(13)24)14-7-9-16-15(11-14)12-17(22)20(26)19(16)23/h7-12,26H,2-6H2,1H3
InChIKeyZQHOWZNJVLAESN-UHFFFAOYSA-N
XLogP6.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
CID 91526476
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-hexylpyridine
CID 139873040
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752
5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
CID 139662086
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-5-heptylpyridine
CID 139874836
2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
CID 18172843
1,3-difluoro-6-(4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139855742
2,3-difluoro-4-hexylphenol
CID 19910978
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol?
The IUPAC name of 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol (CID 135618705) is 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol.
What is the SMILES notation for 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol?
The canonical SMILES for 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol is CCCCCCc1ccc(-c2ccc3c(F)c(O)c(F)cc3c2)nc1F.
What is the InChIKey of 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol?
The InChIKey is ZQHOWZNJVLAESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c1-2-3-4-5-6-13-8-10-18(25-21(13)24)14-7-9-16-15(11-14)12-17(22)20(26)19(16)23/h7-12,26H,2-6H2,1H3.
What are the key properties of 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol?
1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol has a molecular weight of 359.39 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)naphthalen-2-ol is sourced from PubChem (CID 135618705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).