5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol

C10H10ClNO — CID 124707514

IUPAC5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol
SMILESOCCCC#Cc1ncccc1Cl
InChIInChI=1S/C10H10ClNO/c11-9-5-4-7-12-10(9)6-2-1-3-8-13/h4-5,7,13H,1,3,8H2
InChIKeyPGNJUXRUFOBNMI-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.86
Rot. Bonds2

About 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol

5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol (PubChem CID 124707514) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol
PubChem CID124707514
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol
SMILESOCCCC#Cc1ncccc1Cl
InChIInChI=1S/C10H10ClNO/c11-9-5-4-7-12-10(9)6-2-1-3-8-13/h4-5,7,13H,1,3,8H2
InChIKeyPGNJUXRUFOBNMI-UHFFFAOYSA-N
XLogP1.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol?
The IUPAC name of 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol (CID 124707514) is 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol is OCCCC#Cc1ncccc1Cl.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol?
The InChIKey is PGNJUXRUFOBNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-9-5-4-7-12-10(9)6-2-1-3-8-13/h4-5,7,13H,1,3,8H2.
What are the key properties of 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol?
5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol has a molecular weight of 195.65 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol is sourced from PubChem (CID 124707514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).