3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid

C10H13FN2O3 — CID 105382410

IUPAC3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCC(CO)CNc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H13FN2O3/c1-6(5-14)4-13-9-8(11)7(10(15)16)2-3-12-9/h2-3,6,14H,4-5H2,1H3,(H,12,13)(H,15,16)
InChIKeyPPDBWXYYEDOYSZ-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.96
Rot. Bonds5

About 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid (PubChem CID 105382410) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
PubChem CID105382410
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCC(CO)CNc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H13FN2O3/c1-6(5-14)4-13-9-8(11)7(10(15)16)2-3-12-9/h2-3,6,14H,4-5H2,1H3,(H,12,13)(H,15,16)
InChIKeyPPDBWXYYEDOYSZ-UHFFFAOYSA-N
XLogP0.96
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995
3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
CID 105382627
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382664
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid (CID 105382410) is 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid is CC(CO)CNc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is PPDBWXYYEDOYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-6(5-14)4-13-9-8(11)7(10(15)16)2-3-12-9/h2-3,6,14H,4-5H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 228.22 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).