(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

C17H15NO2 — CID 82544245

IUPAC(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESO=C(O)/C=C1\CCCc2ccc(-c3ccccn3)cc21
InChIInChI=1S/C17H15NO2/c19-17(20)11-13-5-3-4-12-7-8-14(10-15(12)13)16-6-1-2-9-18-16/h1-2,6-11H,3-5H2,(H,19,20)/b13-11+
InChIKeyAYZWKVMXCGUJPX-ACCUITESSA-N
MW265.31 g/mol
LogP3.55
Rot. Bonds2

About (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (PubChem CID 82544245) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
PubChem CID82544245
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESO=C(O)/C=C1\CCCc2ccc(-c3ccccn3)cc21
InChIInChI=1S/C17H15NO2/c19-17(20)11-13-5-3-4-12-7-8-14(10-15(12)13)16-6-1-2-9-18-16/h1-2,6-11H,3-5H2,(H,19,20)/b13-11+
InChIKeyAYZWKVMXCGUJPX-ACCUITESSA-N
XLogP3.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate
CID 82543772
(2E)-2-(7-cyano-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 146658438
N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
CID 59737959
2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine
CID 177102277
3-pyridin-2-yl-5,6,7,8-tetrahydroquinoline
CID 10536433
2-formyl-4-pyridin-2-ylbenzoic acid
CID 143027817
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802
2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
CID 54411867
(E)-3-(3-pyridin-2-ylphenyl)but-2-enoic acid
CID 82544253
methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 146246483
(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
CID 142003176
2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The IUPAC name of (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (CID 82544245) is (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is O=C(O)/C=C1\CCCc2ccc(-c3ccccn3)cc21.
What is the InChIKey of (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The InChIKey is AYZWKVMXCGUJPX-ACCUITESSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)11-13-5-3-4-12-7-8-14(10-15(12)13)16-6-1-2-9-18-16/h1-2,6-11H,3-5H2,(H,19,20)/b13-11+.
What are the key properties of (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is sourced from PubChem (CID 82544245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).