2-chloro-3-(4-methylpentoxy)pyridine

C11H16ClNO — CID 83157028

IUPAC2-chloro-3-(4-methylpentoxy)pyridine
SMILESCC(C)CCCOc1cccnc1Cl
InChIInChI=1S/C11H16ClNO/c1-9(2)5-4-8-14-10-6-3-7-13-11(10)12/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyVRCWCLVMHWJPPG-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.55
Rot. Bonds5

About 2-chloro-3-(4-methylpentoxy)pyridine

2-chloro-3-(4-methylpentoxy)pyridine (PubChem CID 83157028) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-3-(4-methylpentoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(4-methylpentoxy)pyridine
PubChem CID83157028
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-3-(4-methylpentoxy)pyridine
SMILESCC(C)CCCOc1cccnc1Cl
InChIInChI=1S/C11H16ClNO/c1-9(2)5-4-8-14-10-6-3-7-13-11(10)12/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyVRCWCLVMHWJPPG-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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Related Compounds

2-chloro-3-(4-methylpentoxymethyl)pyridine
CID 62471573
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180
4-methylpentyl 2-chloropyridine-3-carboxylate
CID 63841332
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
2-chloro-3-(2-ethylsulfanylethoxy)pyridine
CID 115646957
3-butan-2-yloxy-2-chloropyridine
CID 65102026
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide
CID 65101759
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1-(4-methylpentoxy)naphthalene
CID 83168126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methylpentoxy)pyridine?
The IUPAC name of 2-chloro-3-(4-methylpentoxy)pyridine (CID 83157028) is 2-chloro-3-(4-methylpentoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(4-methylpentoxy)pyridine?
The canonical SMILES for 2-chloro-3-(4-methylpentoxy)pyridine is CC(C)CCCOc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(4-methylpentoxy)pyridine?
The InChIKey is VRCWCLVMHWJPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(2)5-4-8-14-10-6-3-7-13-11(10)12/h3,6-7,9H,4-5,8H2,1-2H3.
What are the key properties of 2-chloro-3-(4-methylpentoxy)pyridine?
2-chloro-3-(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-3-(4-methylpentoxy)pyridine is sourced from PubChem (CID 83157028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).