[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid

C15H15FN2O2 — CID 141420559

IUPAC[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid
SMILESCc1cc(-c2ccc([C@H](C)NC(=O)O)nc2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-9-7-11(3-5-13(9)16)12-4-6-14(17-8-12)10(2)18-15(19)20/h3-8,10,18H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyVARHUQCZXNQPHK-JTQLQIEISA-N
MW274.30 g/mol
LogP3.52
Rot. Bonds3

About [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid

[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid (PubChem CID 141420559) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid
PubChem CID141420559
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid
SMILESCc1cc(-c2ccc([C@H](C)NC(=O)O)nc2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-9-7-11(3-5-13(9)16)12-4-6-14(17-8-12)10(2)18-15(19)20/h3-8,10,18H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyVARHUQCZXNQPHK-JTQLQIEISA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-[4-(2-chloro-5-fluoro-4-pyridinyl)-2-methylphenyl]ethyl]carbamic acid
CID 155288648
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 154960708
3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-thiazolidin-2-one
CID 154974600
1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
CID 139531198
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70311806
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]butanoic acid
CID 82222561
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 116864179

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid?
The IUPAC name of [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid (CID 141420559) is [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid is Cc1cc(-c2ccc([C@H](C)NC(=O)O)nc2)ccc1F.
What is the InChIKey of [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid?
The InChIKey is VARHUQCZXNQPHK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-7-11(3-5-13(9)16)12-4-6-14(17-8-12)10(2)18-15(19)20/h3-8,10,18H,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid?
[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid has a molecular weight of 274.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid is sourced from PubChem (CID 141420559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).