2-chloro-4-(2-methoxypentan-2-yl)pyridine

C11H16ClNO — CID 123729466

IUPAC2-chloro-4-(2-methoxypentan-2-yl)pyridine
SMILESCCCC(C)(OC)c1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-4-6-11(2,14-3)9-5-7-13-10(12)8-9/h5,7-8H,4,6H2,1-3H3
InChIKeyNRUWGRVOJFMRMC-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.40
Rot. Bonds4

About 2-chloro-4-(2-methoxypentan-2-yl)pyridine

2-chloro-4-(2-methoxypentan-2-yl)pyridine (PubChem CID 123729466) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxypentan-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-methoxypentan-2-yl)pyridine
PubChem CID123729466
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-4-(2-methoxypentan-2-yl)pyridine
SMILESCCCC(C)(OC)c1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-4-6-11(2,14-3)9-5-7-13-10(12)8-9/h5,7-8H,4,6H2,1-3H3
InChIKeyNRUWGRVOJFMRMC-UHFFFAOYSA-N
XLogP3.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2-methoxypentan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
CID 131271060
2-(2-chloro-4-pyridinyl)-2,2-diethoxy-N-methylethanamine
CID 87152692
2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol
CID 123306255
2-chloro-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyridine
CID 157088405
2-chloro-4-(3,3-dimethylbutoxymethyl)pyridine
CID 66231568
N-tert-butyl-2-chloro-N-ethylpyridin-4-amine
CID 130921684
4-(4-tert-butylphenoxy)-2-chloropyridine
CID 63777784
2-chloro-N-(3-methylpentan-3-yl)pyridin-4-amine
CID 106330915
(2-chloro-4-pyridinyl)-triethylsilane
CID 151725839
1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol
CID 146260150
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
2-chloro-4-propylsulfanylpyridine
CID 63778827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxypentan-2-yl)pyridine?
The IUPAC name of 2-chloro-4-(2-methoxypentan-2-yl)pyridine (CID 123729466) is 2-chloro-4-(2-methoxypentan-2-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(2-methoxypentan-2-yl)pyridine?
The canonical SMILES for 2-chloro-4-(2-methoxypentan-2-yl)pyridine is CCCC(C)(OC)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methoxypentan-2-yl)pyridine?
The InChIKey is NRUWGRVOJFMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-4-6-11(2,14-3)9-5-7-13-10(12)8-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 2-chloro-4-(2-methoxypentan-2-yl)pyridine?
2-chloro-4-(2-methoxypentan-2-yl)pyridine has a molecular weight of 213.71 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxypentan-2-yl)pyridine is sourced from PubChem (CID 123729466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).