3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol

C17H13ClN2O — CID 25115111

IUPAC3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2ccccc2Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-17-6-2-1-5-16(17)12-8-14(10-15(21)9-12)20-13-4-3-7-19-11-13/h1-11,20-21H
InChIKeyMRBGXMXDRLSMCX-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.85
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol

3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol (PubChem CID 25115111) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol
PubChem CID25115111
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2ccccc2Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-17-6-2-1-5-16(17)12-8-14(10-15(21)9-12)20-13-4-3-7-19-11-13/h1-11,20-21H
InChIKeyMRBGXMXDRLSMCX-UHFFFAOYSA-N
XLogP4.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol?
The IUPAC name of 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol (CID 25115111) is 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol?
The canonical SMILES for 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol is Oc1cc(Nc2cccnc2)cc(-c2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol?
The InChIKey is MRBGXMXDRLSMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-17-6-2-1-5-16(17)12-8-14(10-15(21)9-12)20-13-4-3-7-19-11-13/h1-11,20-21H.
What are the key properties of 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol?
3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol has a molecular weight of 296.76 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 25115111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).