2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid

C17H17NO2 — CID 116824978

IUPAC2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
SMILESO=C(O)C(c1ccncc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17NO2/c19-17(20)16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h5-11,16H,1-4H2,(H,19,20)
InChIKeyTUDGVCXOMUBDFA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.18
Rot. Bonds3

About 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid

2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid (PubChem CID 116824978) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
PubChem CID116824978
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
SMILESO=C(O)C(c1ccncc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17NO2/c19-17(20)16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h5-11,16H,1-4H2,(H,19,20)
InChIKeyTUDGVCXOMUBDFA-UHFFFAOYSA-N
XLogP3.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956018
2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
CID 116824679
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
N-methyl-2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116824902
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 82093557
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid (CID 116824978) is 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid is O=C(O)C(c1ccncc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The InChIKey is TUDGVCXOMUBDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h5-11,16H,1-4H2,(H,19,20).
What are the key properties of 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid has a molecular weight of 267.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 116824978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).