[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol

C9H10ClNO — CID 169477097

IUPAC[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol
SMILESOCc1cncc(C=CCCl)c1
InChIInChI=1S/C9H10ClNO/c10-3-1-2-8-4-9(7-12)6-11-5-8/h1-2,4-6,12H,3,7H2
InChIKeyAULOHWVVRQZZMV-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.83
Rot. Bonds3

About [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol

[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol (PubChem CID 169477097) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol
PubChem CID169477097
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol
SMILESOCc1cncc(C=CCCl)c1
InChIInChI=1S/C9H10ClNO/c10-3-1-2-8-4-9(7-12)6-11-5-8/h1-2,4-6,12H,3,7H2
InChIKeyAULOHWVVRQZZMV-UHFFFAOYSA-N
XLogP1.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol?
The IUPAC name of [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol (CID 169477097) is [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol is OCc1cncc(C=CCCl)c1.
What is the InChIKey of [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol?
The InChIKey is AULOHWVVRQZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-3-1-2-8-4-9(7-12)6-11-5-8/h1-2,4-6,12H,3,7H2.
What are the key properties of [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol?
[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol has a molecular weight of 183.64 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol is sourced from PubChem (CID 169477097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).