2-chloro-4-(4-methylpentoxy)pyridine

C11H16ClNO — CID 63776506

IUPAC2-chloro-4-(4-methylpentoxy)pyridine
SMILESCC(C)CCCOc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-9(2)4-3-7-14-10-5-6-13-11(12)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNBBZQVDEJFOTMD-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.55
Rot. Bonds5

About 2-chloro-4-(4-methylpentoxy)pyridine

2-chloro-4-(4-methylpentoxy)pyridine (PubChem CID 63776506) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-4-(4-methylpentoxy)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-methylpentoxy)pyridine
PubChem CID63776506
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-4-(4-methylpentoxy)pyridine
SMILESCC(C)CCCOc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-9(2)4-3-7-14-10-5-6-13-11(12)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNBBZQVDEJFOTMD-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylpentoxy)pyridine?
The IUPAC name of 2-chloro-4-(4-methylpentoxy)pyridine (CID 63776506) is 2-chloro-4-(4-methylpentoxy)pyridine.
What is the SMILES notation for 2-chloro-4-(4-methylpentoxy)pyridine?
The canonical SMILES for 2-chloro-4-(4-methylpentoxy)pyridine is CC(C)CCCOc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(4-methylpentoxy)pyridine?
The InChIKey is NBBZQVDEJFOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(2)4-3-7-14-10-5-6-13-11(12)8-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-4-(4-methylpentoxy)pyridine?
2-chloro-4-(4-methylpentoxy)pyridine has a molecular weight of 213.71 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylpentoxy)pyridine is sourced from PubChem (CID 63776506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).