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

C13H13ClN2O — CID 114318234

IUPAC3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1NCc1c(O)cccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-9-12(5-3-7-15-9)16-8-10-11(14)4-2-6-13(10)17/h2-7,16-17H,8H2,1H3
InChIKeyZEJYRKYZVJMPKU-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.36
Rot. Bonds3

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

3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 114318234) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
PubChem CID114318234
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1NCc1c(O)cccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-9-12(5-3-7-15-9)16-8-10-11(14)4-2-6-13(10)17/h2-7,16-17H,8H2,1H3
InChIKeyZEJYRKYZVJMPKU-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-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
3-chloro-2-[(2-iodoanilino)methyl]phenol
CID 113276494
3-chloro-2-[(2-propylanilino)methyl]phenol
CID 114317993
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
CID 115748626
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol
CID 115924726
2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79892131
2-[(2-methyl-3-pyridinyl)amino]ethanol
CID 18349954

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol (CID 114318234) is 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol is Cc1ncccc1NCc1c(O)cccc1Cl.
What is the InChIKey of 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is ZEJYRKYZVJMPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-12(5-3-7-15-9)16-8-10-11(14)4-2-6-13(10)17/h2-7,16-17H,8H2,1H3.
What are the key properties of 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
3-chloro-2-[[(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 3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 114318234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).