2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine

C12H18ClNO — CID 146377223

IUPAC2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine
SMILESCCCC(C)(C)c1ccc(OC)nc1Cl
InChIInChI=1S/C12H18ClNO/c1-5-8-12(2,3)9-6-7-10(15-4)14-11(9)13/h6-7H,5,8H2,1-4H3
InChIKeyRMHIOAMTNRNSIO-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.82
Rot. Bonds4

About 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine

2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine (PubChem CID 146377223) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine
PubChem CID146377223
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine
SMILESCCCC(C)(C)c1ccc(OC)nc1Cl
InChIInChI=1S/C12H18ClNO/c1-5-8-12(2,3)9-6-7-10(15-4)14-11(9)13/h6-7H,5,8H2,1-4H3
InChIKeyRMHIOAMTNRNSIO-UHFFFAOYSA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-3-chloro-6-methoxypyridine
CID 146377381
6-methoxy-3-(2-methylpentan-2-yl)-1H-pyridin-2-one
CID 139483345
3-chloro-2-ethyl-6-methoxypyridine
CID 123175687
2-chloro-4-(2-methylpentan-2-yl)pyrimidine
CID 167262653
1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene
CID 139609334
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
4-(2-methylpentan-2-yl)isoquinoline
CID 139319427
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
CID 174136543
CID 174136543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine?
The IUPAC name of 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine (CID 146377223) is 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine.
What is the SMILES notation for 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine?
The canonical SMILES for 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine is CCCC(C)(C)c1ccc(OC)nc1Cl.
What is the InChIKey of 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine?
The InChIKey is RMHIOAMTNRNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-5-8-12(2,3)9-6-7-10(15-4)14-11(9)13/h6-7H,5,8H2,1-4H3.
What are the key properties of 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine?
2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine has a molecular weight of 227.73 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-(2-methylpentan-2-yl)pyridine is sourced from PubChem (CID 146377223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).