4-butan-2-yloxypyridine-2-carboxylic acid

C10H13NO3 — CID 60903768

IUPAC4-butan-2-yloxypyridine-2-carboxylic acid
SMILESCCC(C)Oc1ccnc(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-3-7(2)14-8-4-5-11-9(6-8)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyLJPDJBDKHDZSCF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.96
Rot. Bonds4

About 4-butan-2-yloxypyridine-2-carboxylic acid

4-butan-2-yloxypyridine-2-carboxylic acid (PubChem CID 60903768) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-butan-2-yloxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-butan-2-yloxypyridine-2-carboxylic acid
PubChem CID60903768
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-butan-2-yloxypyridine-2-carboxylic acid
SMILESCCC(C)Oc1ccnc(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-3-7(2)14-8-4-5-11-9(6-8)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyLJPDJBDKHDZSCF-UHFFFAOYSA-N
XLogP1.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 43326012
4-decoxypyridine-2-carboxylic acid
CID 152529644
4-[(2R)-1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204612
4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
CID 115505423
4-butan-2-yloxybenzoic acid
CID 5132695
4-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66234944
4-butan-2-ylsulfanylpyridine-2-carboxylic acid
CID 43143115
4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62296126
4-pentan-2-yloxypyridine-2-carbothioamide
CID 102981815
4-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 43326028
4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
CID 55293398

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxypyridine-2-carboxylic acid?
The IUPAC name of 4-butan-2-yloxypyridine-2-carboxylic acid (CID 60903768) is 4-butan-2-yloxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-butan-2-yloxypyridine-2-carboxylic acid?
The canonical SMILES for 4-butan-2-yloxypyridine-2-carboxylic acid is CCC(C)Oc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-butan-2-yloxypyridine-2-carboxylic acid?
The InChIKey is LJPDJBDKHDZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-7(2)14-8-4-5-11-9(6-8)10(12)13/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-butan-2-yloxypyridine-2-carboxylic acid?
4-butan-2-yloxypyridine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxypyridine-2-carboxylic acid is sourced from PubChem (CID 60903768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).