1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol

C9H13ClN2O — CID 89314650

IUPAC1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1cccc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-11-6-5-8(13)7-3-2-4-9(10)12-7/h2-4,8,11,13H,5-6H2,1H3
InChIKeyFVEKMXNBTONZCB-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.38
Rot. Bonds4

About 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol

1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol (PubChem CID 89314650) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol
PubChem CID89314650
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1cccc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-11-6-5-8(13)7-3-2-4-9(10)12-7/h2-4,8,11,13H,5-6H2,1H3
InChIKeyFVEKMXNBTONZCB-UHFFFAOYSA-N
XLogP1.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.38
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 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol (CID 89314650) is 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol is CNCCC(O)c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol?
The InChIKey is FVEKMXNBTONZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-11-6-5-8(13)7-3-2-4-9(10)12-7/h2-4,8,11,13H,5-6H2,1H3.
What are the key properties of 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol?
1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 89314650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).