2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol

C12H10Cl2N2O — CID 18778349

IUPAC2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
SMILESOc1c(Cl)cc(NCc2cccnc2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-10-4-9(5-11(14)12(10)17)16-7-8-2-1-3-15-6-8/h1-6,16-17H,7H2
InChIKeyBLKGCULKBUHJSG-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.71
Rot. Bonds3

About 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol

2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol (PubChem CID 18778349) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
PubChem CID18778349
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
SMILESOc1c(Cl)cc(NCc2cccnc2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-10-4-9(5-11(14)12(10)17)16-7-8-2-1-3-15-6-8/h1-6,16-17H,7H2
InChIKeyBLKGCULKBUHJSG-UHFFFAOYSA-N
XLogP3.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2-chloro-4-(pyridin-3-ylmethylamino)benzoic acid
CID 16767368
2,6-dichloro-4-(isoquinolin-6-ylmethylamino)phenol
CID 107679519
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
3-chloro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 19644356
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 60876890
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
CID 68947843
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol?
The IUPAC name of 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol (CID 18778349) is 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol?
The canonical SMILES for 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol is Oc1c(Cl)cc(NCc2cccnc2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol?
The InChIKey is BLKGCULKBUHJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-10-4-9(5-11(14)12(10)17)16-7-8-2-1-3-15-6-8/h1-6,16-17H,7H2.
What are the key properties of 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol?
2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol has a molecular weight of 269.13 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol is sourced from PubChem (CID 18778349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).