5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine

C17H17F2N — CID 54305977

IUPAC5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine
SMILESCc1ccc(-c2c(F)cc3c(c2F)CCC(C)C3)cn1
InChIInChI=1S/C17H17F2N/c1-10-3-6-14-13(7-10)8-15(18)16(17(14)19)12-5-4-11(2)20-9-12/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeySHNGYXKWLPWJBR-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.46
Rot. Bonds1

About 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine

5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine (PubChem CID 54305977) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine
PubChem CID54305977
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine
SMILESCc1ccc(-c2c(F)cc3c(c2F)CCC(C)C3)cn1
InChIInChI=1S/C17H17F2N/c1-10-3-6-14-13(7-10)8-15(18)16(17(14)19)12-5-4-11(2)20-9-12/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeySHNGYXKWLPWJBR-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5,7-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143726931
2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 145488504
6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852100
5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852312
6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene
CID 21032941
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 167217475
2-(2,6-difluoro-4-pentylphenyl)-5,7-difluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853393
6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142035350
(2R)-7,8-difluoro-2,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 146513839
(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
CID 132548187

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine?
The IUPAC name of 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine (CID 54305977) is 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine.
What is the SMILES notation for 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine?
The canonical SMILES for 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine is Cc1ccc(-c2c(F)cc3c(c2F)CCC(C)C3)cn1.
What is the InChIKey of 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine?
The InChIKey is SHNGYXKWLPWJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-10-3-6-14-13(7-10)8-15(18)16(17(14)19)12-5-4-11(2)20-9-12/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine?
5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine has a molecular weight of 273.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine is sourced from PubChem (CID 54305977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).