(2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one

C16H14N2O2 — CID 139011356

IUPAC(2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
SMILESNc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cn1
InChIInChI=1S/C16H14N2O2/c17-15-6-1-10(9-18-15)7-12-3-2-11-8-13(19)4-5-14(11)16(12)20/h1,4-9,19H,2-3H2,(H2,17,18)/b12-7-
InChIKeyBRMBAWDEPOSTMT-GHXNOFRVSA-N
MW266.30 g/mol
LogP2.58
Rot. Bonds1

About (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one

(2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one (PubChem CID 139011356) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
PubChem CID139011356
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
SMILESNc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cn1
InChIInChI=1S/C16H14N2O2/c17-15-6-1-10(9-18-15)7-12-3-2-11-8-13(19)4-5-14(11)16(12)20/h1,4-9,19H,2-3H2,(H2,17,18)/b12-7-
InChIKeyBRMBAWDEPOSTMT-GHXNOFRVSA-N
XLogP2.58
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 11595033
2-[(3,4-diethoxyphenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 75946858
(2E)-2-[(3-chlorophenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 47091844
6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 72684500
2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 54086101
(2E)-2-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 155181366
(2E)-5-hydroxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one
CID 167437450
2-[(2-aminopyrimidin-5-yl)methylidene]-6-hydroxy-3H-inden-1-one
CID 175388936
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
2-[(2,3-difluorophenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 72689051
(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
CID 10105573
(2E)-2-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-6-[(4-bromophenyl)methoxy]-3,4-dihydronaphthalen-1-one;(2E)-2-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 164993394

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one (CID 139011356) is (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one is Nc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cn1.
What is the InChIKey of (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one?
The InChIKey is BRMBAWDEPOSTMT-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-15-6-1-10(9-18-15)7-12-3-2-11-8-13(19)4-5-14(11)16(12)20/h1,4-9,19H,2-3H2,(H2,17,18)/b12-7-.
What are the key properties of (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one?
(2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6-amino-3-pyridinyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 139011356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).