1-aminoethanol;2-chloropyridine

C7H11ClN2O — CID 174681100

IUPAC1-aminoethanol;2-chloropyridine
SMILESCC(N)O.Clc1ccccn1
InChIInChI=1S/C5H4ClN.C2H7NO/c6-5-3-1-2-4-7-5;1-2(3)4/h1-4H;2,4H,3H2,1H3
InChIKeyXRZQNYMJIBRPHQ-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.02
Rot. Bonds

About 1-aminoethanol;2-chloropyridine

1-aminoethanol;2-chloropyridine (PubChem CID 174681100) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-aminoethanol;2-chloropyridine.

Molecular Properties

Compound Name1-aminoethanol;2-chloropyridine
PubChem CID174681100
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1-aminoethanol;2-chloropyridine
SMILESCC(N)O.Clc1ccccn1
InChIInChI=1S/C5H4ClN.C2H7NO/c6-5-3-1-2-4-7-5;1-2(3)4/h1-4H;2,4H,3H2,1H3
InChIKeyXRZQNYMJIBRPHQ-UHFFFAOYSA-N
XLogP1.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloropyridine;iodomethane
CID 15747513
azane;2-chloropyridine
CID 87126107
sodium;2-chloropyridine;hydride
CID 174250475
azanide;carbanide;2-chloropyridine;ethane;bis(rubidium(1+))
CID 158110326
2-chloropyridine;copper;pentane-2,4-dione
CID 174556580
2-chloropyridine;methanimidamide
CID 175495144
2-aminobenzamide;2-chloropyridine
CID 174256918
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;2-chloropyridine?
The IUPAC name of 1-aminoethanol;2-chloropyridine (CID 174681100) is 1-aminoethanol;2-chloropyridine.
What is the SMILES notation for 1-aminoethanol;2-chloropyridine?
The canonical SMILES for 1-aminoethanol;2-chloropyridine is CC(N)O.Clc1ccccn1.
What is the InChIKey of 1-aminoethanol;2-chloropyridine?
The InChIKey is XRZQNYMJIBRPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN.C2H7NO/c6-5-3-1-2-4-7-5;1-2(3)4/h1-4H;2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;2-chloropyridine?
1-aminoethanol;2-chloropyridine has a molecular weight of 174.63 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;2-chloropyridine is sourced from PubChem (CID 174681100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).