2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol

C16H12N2O2 — CID 761412

IUPAC2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol
SMILESOc1cccnc1N=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H12N2O2/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-18-16-15(20)6-3-9-17-16/h1-10,19-20H
InChIKeyPSXBXJNLRFGQPO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.40
Rot. Bonds2

About 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol

2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol (PubChem CID 761412) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol
PubChem CID761412
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol
SMILESOc1cccnc1N=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H12N2O2/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-18-16-15(20)6-3-9-17-16/h1-10,19-20H
InChIKeyPSXBXJNLRFGQPO-UHFFFAOYSA-N
XLogP3.40
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol (CID 761412) is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol is Oc1cccnc1N=Cc1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol?
The InChIKey is PSXBXJNLRFGQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-18-16-15(20)6-3-9-17-16/h1-10,19-20H.
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol?
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol has a molecular weight of 264.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridin-3-ol is sourced from PubChem (CID 761412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).