6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol

C9H13ClN2O — CID 131093477

IUPAC6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol
SMILESCCC[C@@H](N)c1ccc(O)c(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-2-3-6(11)7-4-5-8(13)9(10)12-7/h4-6,13H,2-3,11H2,1H3/t6-/m1/s1
InChIKeyWANYVFFTNMFIRO-ZCFIWIBFSA-N
MW200.67 g/mol
LogP2.24
Rot. Bonds3

About 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol

6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol (PubChem CID 131093477) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol.

Molecular Properties

Compound Name6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol
PubChem CID131093477
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol
SMILESCCC[C@@H](N)c1ccc(O)c(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-2-3-6(11)7-4-5-8(13)9(10)12-7/h4-6,13H,2-3,11H2,1H3/t6-/m1/s1
InChIKeyWANYVFFTNMFIRO-ZCFIWIBFSA-N
XLogP2.24
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol?
The IUPAC name of 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol (CID 131093477) is 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol.
What is the SMILES notation for 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol?
The canonical SMILES for 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol is CCC[C@@H](N)c1ccc(O)c(Cl)n1.
What is the InChIKey of 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol?
The InChIKey is WANYVFFTNMFIRO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-2-3-6(11)7-4-5-8(13)9(10)12-7/h4-6,13H,2-3,11H2,1H3/t6-/m1/s1.
What are the key properties of 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol?
6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol has a molecular weight of 200.67 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol is sourced from PubChem (CID 131093477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).