2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol

C13H13ClN2O — CID 112554995

IUPAC2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1NCc1cccc(Cl)c1O
InChIInChI=1S/C13H13ClN2O/c1-9-12(6-3-7-15-9)16-8-10-4-2-5-11(14)13(10)17/h2-7,16-17H,8H2,1H3
InChIKeyXAMIQOZHDNYHLH-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol

2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 112554995) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
PubChem CID112554995
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1NCc1cccc(Cl)c1O
InChIInChI=1S/C13H13ClN2O/c1-9-12(6-3-7-15-9)16-8-10-4-2-5-11(14)13(10)17/h2-7,16-17H,8H2,1H3
InChIKeyXAMIQOZHDNYHLH-UHFFFAOYSA-N
XLogP3.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.36
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-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 114318234
3-[[(2-chloro-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 61319295
2-bromo-6-[[(2-chloro-3-pyridinyl)amino]methyl]phenol
CID 61390833
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
CID 107631121
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 115904226
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol (CID 112554995) is 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol is Cc1ncccc1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is XAMIQOZHDNYHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-12(6-3-7-15-9)16-8-10-4-2-5-11(14)13(10)17/h2-7,16-17H,8H2,1H3.
What are the key properties of 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol has a molecular weight of 248.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 112554995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).