4-tert-butyl-2-chloro-5-methoxypyridine

C10H14ClNO — CID 177108888

IUPAC4-tert-butyl-2-chloro-5-methoxypyridine
SMILESCOc1cnc(Cl)cc1C(C)(C)C
InChIInChI=1S/C10H14ClNO/c1-10(2,3)7-5-9(11)12-6-8(7)13-4/h5-6H,1-4H3
InChIKeyMIKGBCMYOZCSJG-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.04
Rot. Bonds1

About 4-tert-butyl-2-chloro-5-methoxypyridine

4-tert-butyl-2-chloro-5-methoxypyridine (PubChem CID 177108888) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-5-methoxypyridine.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-5-methoxypyridine
PubChem CID177108888
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-tert-butyl-2-chloro-5-methoxypyridine
SMILESCOc1cnc(Cl)cc1C(C)(C)C
InChIInChI=1S/C10H14ClNO/c1-10(2,3)7-5-9(11)12-6-8(7)13-4/h5-6H,1-4H3
InChIKeyMIKGBCMYOZCSJG-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.04
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

4,5-ditert-butyl-2-chloropyridine
CID 155787493
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
4-tert-butyl-2-chloro-5-methoxypyrimidine
CID 151911521
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine
CID 165381053
4-(6-chloro-4-methoxy-3-pyridinyl)-3-hydroxy-3-methylbutan-2-one
CID 88921695
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
3-chloro-8-methoxyisoquinoline
CID 14589577
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-5-methoxypyridine?
The IUPAC name of 4-tert-butyl-2-chloro-5-methoxypyridine (CID 177108888) is 4-tert-butyl-2-chloro-5-methoxypyridine.
What is the SMILES notation for 4-tert-butyl-2-chloro-5-methoxypyridine?
The canonical SMILES for 4-tert-butyl-2-chloro-5-methoxypyridine is COc1cnc(Cl)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-chloro-5-methoxypyridine?
The InChIKey is MIKGBCMYOZCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-10(2,3)7-5-9(11)12-6-8(7)13-4/h5-6H,1-4H3.
What are the key properties of 4-tert-butyl-2-chloro-5-methoxypyridine?
4-tert-butyl-2-chloro-5-methoxypyridine has a molecular weight of 199.68 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-5-methoxypyridine is sourced from PubChem (CID 177108888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).