2-[(5-chloro-2-pyridinyl)methylamino]ethanol

C8H11ClN2O — CID 19767951

IUPAC2-[(5-chloro-2-pyridinyl)methylamino]ethanol
SMILESOCCNCc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c9-7-1-2-8(11-5-7)6-10-3-4-12/h1-2,5,10,12H,3-4,6H2
InChIKeyDPHXBZFGIHHENO-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.82
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)methylamino]ethanol

2-[(5-chloro-2-pyridinyl)methylamino]ethanol (PubChem CID 19767951) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)methylamino]ethanol
PubChem CID19767951
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-[(5-chloro-2-pyridinyl)methylamino]ethanol
SMILESOCCNCc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c9-7-1-2-8(11-5-7)6-10-3-4-12/h1-2,5,10,12H,3-4,6H2
InChIKeyDPHXBZFGIHHENO-UHFFFAOYSA-N
XLogP0.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine
CID 115908938
1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 115908958
5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 122156984
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80707891
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
2-N-[(5-chloro-2-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407636
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)methylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)methylamino]ethanol (CID 19767951) is 2-[(5-chloro-2-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)methylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)methylamino]ethanol is OCCNCc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)methylamino]ethanol?
The InChIKey is DPHXBZFGIHHENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-1-2-8(11-5-7)6-10-3-4-12/h1-2,5,10,12H,3-4,6H2.
What are the key properties of 2-[(5-chloro-2-pyridinyl)methylamino]ethanol?
2-[(5-chloro-2-pyridinyl)methylamino]ethanol has a molecular weight of 186.64 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 19767951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).