methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate

C17H17FN2O2 — CID 133421468

IUPACmethyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCc3ccc(F)cc3C2)nc1C
InChIInChI=1S/C17H17FN2O2/c1-11-15(17(21)22-2)5-6-16(19-11)20-8-7-12-3-4-14(18)9-13(12)10-20/h3-6,9H,7-8,10H2,1-2H3
InChIKeyDFRITDUBZAIFIO-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.88
Rot. Bonds2

About methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate

methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate (PubChem CID 133421468) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate
PubChem CID133421468
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Namemethyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCc3ccc(F)cc3C2)nc1C
InChIInChI=1S/C17H17FN2O2/c1-11-15(17(21)22-2)5-6-16(19-11)20-8-7-12-3-4-14(18)9-13(12)10-20/h3-6,9H,7-8,10H2,1-2H3
InChIKeyDFRITDUBZAIFIO-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
CID 102546473
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
4-(5-methoxycarbonyl-6-methyl-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 82904565
methyl 5-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-nitrobenzoate
CID 133422285
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
ethyl 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 133422517
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
methyl 6-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 25100544
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
CID 133420753
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271

Frequently Asked Questions

What is the IUPAC name of methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate (CID 133421468) is methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(N2CCc3ccc(F)cc3C2)nc1C.
What is the InChIKey of methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate?
The InChIKey is DFRITDUBZAIFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-15(17(21)22-2)5-6-16(19-11)20-8-7-12-3-4-14(18)9-13(12)10-20/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate?
methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate has a molecular weight of 300.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133421468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).