(5-butyl-2-chloro-3-pyridinyl)methanol

C10H14ClNO — CID 119083937

IUPAC(5-butyl-2-chloro-3-pyridinyl)methanol
SMILESCCCCc1cnc(Cl)c(CO)c1
InChIInChI=1S/C10H14ClNO/c1-2-3-4-8-5-9(7-13)10(11)12-6-8/h5-6,13H,2-4,7H2,1H3
InChIKeyVONXPDJOEOZYQJ-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.57
Rot. Bonds4

About (5-butyl-2-chloro-3-pyridinyl)methanol

(5-butyl-2-chloro-3-pyridinyl)methanol (PubChem CID 119083937) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (5-butyl-2-chloro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-butyl-2-chloro-3-pyridinyl)methanol
PubChem CID119083937
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(5-butyl-2-chloro-3-pyridinyl)methanol
SMILESCCCCc1cnc(Cl)c(CO)c1
InChIInChI=1S/C10H14ClNO/c1-2-3-4-8-5-9(7-13)10(11)12-6-8/h5-6,13H,2-4,7H2,1H3
InChIKeyVONXPDJOEOZYQJ-UHFFFAOYSA-N
XLogP2.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5-butyl-2-chloro-3-pyridinyl)methanol?
The IUPAC name of (5-butyl-2-chloro-3-pyridinyl)methanol (CID 119083937) is (5-butyl-2-chloro-3-pyridinyl)methanol.
What is the SMILES notation for (5-butyl-2-chloro-3-pyridinyl)methanol?
The canonical SMILES for (5-butyl-2-chloro-3-pyridinyl)methanol is CCCCc1cnc(Cl)c(CO)c1.
What is the InChIKey of (5-butyl-2-chloro-3-pyridinyl)methanol?
The InChIKey is VONXPDJOEOZYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-3-4-8-5-9(7-13)10(11)12-6-8/h5-6,13H,2-4,7H2,1H3.
What are the key properties of (5-butyl-2-chloro-3-pyridinyl)methanol?
(5-butyl-2-chloro-3-pyridinyl)methanol has a molecular weight of 199.68 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-2-chloro-3-pyridinyl)methanol is sourced from PubChem (CID 119083937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).