3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid

C8H8F2N2O3 — CID 133102626

IUPAC3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
SMILESNCc1c(C(F)F)ncc(O)c1C(=O)O
InChIInChI=1S/C8H8F2N2O3/c9-7(10)6-3(1-11)5(8(14)15)4(13)2-12-6/h2,7,13H,1,11H2,(H,14,15)
InChIKeyWPOMBMIUASRDRR-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.88
Rot. Bonds3

About 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid

3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid (PubChem CID 133102626) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
PubChem CID133102626
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
SMILESNCc1c(C(F)F)ncc(O)c1C(=O)O
InChIInChI=1S/C8H8F2N2O3/c9-7(10)6-3(1-11)5(8(14)15)4(13)2-12-6/h2,7,13H,1,11H2,(H,14,15)
InChIKeyWPOMBMIUASRDRR-UHFFFAOYSA-N
XLogP0.88
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
methyl 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylate
CID 133100847
2-(difluoromethyl)-3-fluoro-5-hydroxypyridine-4-carboxamide
CID 118808984
ethyl 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylate
CID 133102339
5-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070367
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130098061
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylic acid
CID 130087556
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102379

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid (CID 133102626) is 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid is NCc1c(C(F)F)ncc(O)c1C(=O)O.
What is the InChIKey of 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid?
The InChIKey is WPOMBMIUASRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c9-7(10)6-3(1-11)5(8(14)15)4(13)2-12-6/h2,7,13H,1,11H2,(H,14,15).
What are the key properties of 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid?
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid has a molecular weight of 218.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid is sourced from PubChem (CID 133102626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).