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

C13H14ClN3O — CID 107231936

IUPAC[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESNc1ccc(Cl)nc1NCc1cccc(CO)c1
InChIInChI=1S/C13H14ClN3O/c14-12-5-4-11(15)13(17-12)16-7-9-2-1-3-10(6-9)8-18/h1-6,18H,7-8,15H2,(H,16,17)
InChIKeyAUWVFAUUZYBUQN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.42
Rot. Bonds4

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

[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107231936) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107231936
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESNc1ccc(Cl)nc1NCc1cccc(CO)c1
InChIInChI=1S/C13H14ClN3O/c14-12-5-4-11(15)13(17-12)16-7-9-2-1-3-10(6-9)8-18/h1-6,18H,7-8,15H2,(H,16,17)
InChIKeyAUWVFAUUZYBUQN-UHFFFAOYSA-N
XLogP2.42
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-[[(6-chloro-3-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197113
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
CID 115474154
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
CID 106197129
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807
[3-[(2-amino-3-chloroanilino)methyl]phenyl]methanol
CID 107231829
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 107231916

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (CID 107231936) is [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is Nc1ccc(Cl)nc1NCc1cccc(CO)c1.
What is the InChIKey of [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is AUWVFAUUZYBUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-5-4-11(15)13(17-12)16-7-9-2-1-3-10(6-9)8-18/h1-6,18H,7-8,15H2,(H,16,17).
What are the key properties of [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 263.73 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107231936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).