2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol

C13H12Cl2N2O — CID 951458

IUPAC2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1cccc(NCc2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C13H12Cl2N2O/c1-8-3-2-4-12(17-8)16-7-9-5-10(14)6-11(15)13(9)18/h2-6,18H,7H2,1H3,(H,16,17)
InChIKeyVRNISOXPCNGGKQ-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.01
Rot. Bonds3

About 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol

2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol (PubChem CID 951458) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
PubChem CID951458
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1cccc(NCc2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C13H12Cl2N2O/c1-8-3-2-4-12(17-8)16-7-9-5-10(14)6-11(15)13(9)18/h2-6,18H,7H2,1H3,(H,16,17)
InChIKeyVRNISOXPCNGGKQ-UHFFFAOYSA-N
XLogP4.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichloro-6-[(pyridin-2-ylamino)methyl]phenol
CID 889392
4-Chloro-2-[(pyridin-2-ylamino)methyl]phenol
CID 890711
2,4-dichloro-6-{(E)-[(5-methylpyridin-2-yl)imino]methyl}phenol
CID 914307
4-Chloro-2-{[(6-methylpyridin-2-yl)amino]methyl}phenol
CID 889156
2-[[(5-Bromopyridin-2-yl)amino]methyl]-4,6-dichlorophenol
CID 661808
2-[6-(Methylamino)-2-pyridinyl]phenol
CID 136128752
2-(((6-Methylpyridin-2-yl)amino)methyl)phenol
CID 653133
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439982
2,4-Dichloro-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 2803079
4-Chloro-2-{[(4-methylpyridin-2-yl)amino]methyl}phenol
CID 890642
2,4-Dichloro-6-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 951428
2,4-dichloro-6-[(E)-[(1-methylpyridin-1-ium-2-yl)hydrazinylidene]methyl]phenol iodide
CID 135419392

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol (CID 951458) is 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol is Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)n1.
What is the InChIKey of 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is VRNISOXPCNGGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-3-2-4-12(17-8)16-7-9-5-10(14)6-11(15)13(9)18/h2-6,18H,7H2,1H3,(H,16,17).
What are the key properties of 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol has a molecular weight of 283.16 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(6-methyl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 951458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).