2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol

C18H14Cl2N2O2 — CID 10451208

IUPAC2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol
SMILESNc1ncc(-c2ccccc2O)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c19-14-5-3-6-15(20)13(14)10-24-17-8-11(9-22-18(17)21)12-4-1-2-7-16(12)23/h1-9,23H,10H2,(H2,21,22)
InChIKeyLWRSWXKUPNUOOE-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.92
Rot. Bonds4

About 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol

2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol (PubChem CID 10451208) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol
PubChem CID10451208
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol
SMILESNc1ncc(-c2ccccc2O)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c19-14-5-3-6-15(20)13(14)10-24-17-8-11(9-22-18(17)21)12-4-1-2-7-16(12)23/h1-9,23H,10H2,(H2,21,22)
InChIKeyLWRSWXKUPNUOOE-UHFFFAOYSA-N
XLogP4.92
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol?
The IUPAC name of 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol (CID 10451208) is 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol?
The canonical SMILES for 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol is Nc1ncc(-c2ccccc2O)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol?
The InChIKey is LWRSWXKUPNUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-14-5-3-6-15(20)13(14)10-24-17-8-11(9-22-18(17)21)12-4-1-2-7-16(12)23/h1-9,23H,10H2,(H2,21,22).
What are the key properties of 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol?
2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol has a molecular weight of 361.23 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol is sourced from PubChem (CID 10451208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).