6-amino-2-butylpyridine-3-carboxylic acid

C10H14N2O2 — CID 118710364

IUPAC6-amino-2-butylpyridine-3-carboxylic acid
SMILESCCCCc1nc(N)ccc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
InChIKeyBHTWSRGXUNUBLX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.70
Rot. Bonds4

About 6-amino-2-butylpyridine-3-carboxylic acid

6-amino-2-butylpyridine-3-carboxylic acid (PubChem CID 118710364) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-amino-2-butylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-butylpyridine-3-carboxylic acid
PubChem CID118710364
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-amino-2-butylpyridine-3-carboxylic acid
SMILESCCCCc1nc(N)ccc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
InChIKeyBHTWSRGXUNUBLX-UHFFFAOYSA-N
XLogP1.70
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-butylpyridine-3-carboxylic acid?
The IUPAC name of 6-amino-2-butylpyridine-3-carboxylic acid (CID 118710364) is 6-amino-2-butylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-butylpyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-2-butylpyridine-3-carboxylic acid is CCCCc1nc(N)ccc1C(=O)O.
What is the InChIKey of 6-amino-2-butylpyridine-3-carboxylic acid?
The InChIKey is BHTWSRGXUNUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-2-butylpyridine-3-carboxylic acid?
6-amino-2-butylpyridine-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-butylpyridine-3-carboxylic acid is sourced from PubChem (CID 118710364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).