7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol

C19H14N2O2 — CID 57033018

IUPAC7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol
SMILESNc1cccnc1Oc1ccc2c(ccc3cc(O)ccc32)c1
InChIInChI=1S/C19H14N2O2/c20-18-2-1-9-21-19(18)23-15-6-8-17-13(11-15)4-3-12-10-14(22)5-7-16(12)17/h1-11,22H,20H2
InChIKeyKNYLJXQHPDYYKQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.47
Rot. Bonds2

About 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol

7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol (PubChem CID 57033018) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol.

Molecular Properties

Compound Name7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol
PubChem CID57033018
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol
SMILESNc1cccnc1Oc1ccc2c(ccc3cc(O)ccc32)c1
InChIInChI=1S/C19H14N2O2/c20-18-2-1-9-21-19(18)23-15-6-8-17-13(11-15)4-3-12-10-14(22)5-7-16(12)17/h1-11,22H,20H2
InChIKeyKNYLJXQHPDYYKQ-UHFFFAOYSA-N
XLogP4.47
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol?
The IUPAC name of 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol (CID 57033018) is 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol.
What is the SMILES notation for 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol?
The canonical SMILES for 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol is Nc1cccnc1Oc1ccc2c(ccc3cc(O)ccc32)c1.
What is the InChIKey of 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol?
The InChIKey is KNYLJXQHPDYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c20-18-2-1-9-21-19(18)23-15-6-8-17-13(11-15)4-3-12-10-14(22)5-7-16(12)17/h1-11,22H,20H2.
What are the key properties of 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol?
7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol has a molecular weight of 302.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-amino-2-pyridinyl)oxy]phenanthren-2-ol is sourced from PubChem (CID 57033018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).