3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

C12H17FN2O3 — CID 105382575

IUPAC3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1nccc(C(=O)O)c1F)C(C)C
InChIInChI=1S/C12H17FN2O3/c1-8(2)15(6-7-18-3)11-10(13)9(12(16)17)4-5-14-11/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyWZOYRANVCAAMOE-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.78
Rot. Bonds6

About 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 105382575) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID105382575
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1nccc(C(=O)O)c1F)C(C)C
InChIInChI=1S/C12H17FN2O3/c1-8(2)15(6-7-18-3)11-10(13)9(12(16)17)4-5-14-11/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyWZOYRANVCAAMOE-UHFFFAOYSA-N
XLogP1.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381871
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
CID 82951393
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 105379997

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (CID 105382575) is 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid is COCCN(c1nccc(C(=O)O)c1F)C(C)C.
What is the InChIKey of 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is WZOYRANVCAAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-8(2)15(6-7-18-3)11-10(13)9(12(16)17)4-5-14-11/h4-5,8H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).