2-chloro-6-methoxypyridine-4-carboxylic acid;ethane

C11H18ClNO3 — CID 143103207

IUPAC2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
SMILESCC.CC.COc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C7H6ClNO3.2C2H6/c1-12-6-3-4(7(10)11)2-5(8)9-6;2*1-2/h2-3H,1H3,(H,10,11);2*1-2H3
InChIKeyUDCHNYOAZCPPRB-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.49
Rot. Bonds2

About 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane

2-chloro-6-methoxypyridine-4-carboxylic acid;ethane (PubChem CID 143103207) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane.

Molecular Properties

Compound Name2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
PubChem CID143103207
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
SMILESCC.CC.COc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C7H6ClNO3.2C2H6/c1-12-6-3-4(7(10)11)2-5(8)9-6;2*1-2/h2-3H,1H3,(H,10,11);2*1-2H3
InChIKeyUDCHNYOAZCPPRB-UHFFFAOYSA-N
XLogP3.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
benzyl 2-chloro-6-methoxypyridine-4-carboxylate
CID 172647187
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
CID 84580621
2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580756
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide
CID 84580873
2,4-dichloro-6-methoxypyridine
CID 59872472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane?
The IUPAC name of 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane (CID 143103207) is 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane.
What is the SMILES notation for 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane?
The canonical SMILES for 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane is CC.CC.COc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane?
The InChIKey is UDCHNYOAZCPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3.2C2H6/c1-12-6-3-4(7(10)11)2-5(8)9-6;2*1-2/h2-3H,1H3,(H,10,11);2*1-2H3.
What are the key properties of 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane?
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane has a molecular weight of 247.72 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxypyridine-4-carboxylic acid;ethane is sourced from PubChem (CID 143103207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).