6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid

C10H12ClNO3 — CID 60903616

IUPAC6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
SMILESCCC(C)Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-3-6(2)15-9-8(11)4-7(5-12-9)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyFVMQJHFKLSAIJE-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.61
Rot. Bonds4

About 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid

6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid (PubChem CID 60903616) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
PubChem CID60903616
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
SMILESCCC(C)Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-3-6(2)15-9-8(11)4-7(5-12-9)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyFVMQJHFKLSAIJE-UHFFFAOYSA-N
XLogP2.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 2781028
2-Ethoxypyridine-3-carboxylic acid
CID 2736345
6-Ethoxypyridine-3-carboxylic acid
CID 6485817
3-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid
CID 155145976
Ethyl 5-chloronicotinate
CID 210009
5-Chloro-6-isopropoxynicotinic acid
CID 18070582
6-Butoxypyridine-3-carboxylic acid
CID 23272956
6-[(Tetrahydro-2H-pyran-4-yl)oxy]-3-pyridinecarboxylic acid
CID 24229576
6-(2-Methoxyethoxy)pyridine-3-carboxylic acid
CID 15067093
5-Chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
CID 16782485
6-(Cyclopentyloxy)pyridine-3-carboxylic acid
CID 16794020
5-Chloro-6-methoxypyridine-3-carboxylic acid
CID 16785377

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid?
The IUPAC name of 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid (CID 60903616) is 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid?
The canonical SMILES for 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid is CCC(C)Oc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid?
The InChIKey is FVMQJHFKLSAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-3-6(2)15-9-8(11)4-7(5-12-9)10(13)14/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid?
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid has a molecular weight of 229.66 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 60903616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).