2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol

C14H12N2O3 — CID 69186238

IUPAC2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)ccc1C1=COCO1
InChIInChI=1S/C14H12N2O3/c17-13-6-10(16-11-2-1-5-15-7-11)3-4-12(13)14-8-18-9-19-14/h1-8,16-17H,9H2
InChIKeyXKJKMQLUDZWZAY-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.83
Rot. Bonds3

About 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol

2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol (PubChem CID 69186238) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol
PubChem CID69186238
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)ccc1C1=COCO1
InChIInChI=1S/C14H12N2O3/c17-13-6-10(16-11-2-1-5-15-7-11)3-4-12(13)14-8-18-9-19-14/h1-8,16-17H,9H2
InChIKeyXKJKMQLUDZWZAY-UHFFFAOYSA-N
XLogP2.83
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
2,3-bis(furan-3-yl)-5-(pyridin-3-ylamino)phenol
CID 69186236
N-pyridin-3-ylquinazolin-7-amine
CID 151317593
N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine
CID 21071445
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
2-[(pyridin-3-ylamino)methyl]benzene-1,4-diol
CID 82674879
4-chloro-2-(pyridin-3-ylamino)phenol
CID 102179670
N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine
CID 141070937
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
3-phenyl-2-(pyridin-3-ylamino)phenol
CID 143609614
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol?
The IUPAC name of 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol (CID 69186238) is 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol?
The canonical SMILES for 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol is Oc1cc(Nc2cccnc2)ccc1C1=COCO1.
What is the InChIKey of 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol?
The InChIKey is XKJKMQLUDZWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13-6-10(16-11-2-1-5-15-7-11)3-4-12(13)14-8-18-9-19-14/h1-8,16-17H,9H2.
What are the key properties of 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol?
2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol has a molecular weight of 256.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxol-4-yl)-5-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 69186238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).