5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid

C10H11FN2O3 — CID 167971128

IUPAC5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N[C@@H]2CCOC2)c(F)c1
InChIInChI=1S/C10H11FN2O3/c11-8-3-6(10(14)15)4-12-9(8)13-7-1-2-16-5-7/h3-4,7H,1-2,5H2,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyAAHGFYCWNLHPBT-SSDOTTSWSA-N
MW226.21 g/mol
LogP1.12
Rot. Bonds3

About 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid

5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid (PubChem CID 167971128) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
PubChem CID167971128
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N[C@@H]2CCOC2)c(F)c1
InChIInChI=1S/C10H11FN2O3/c11-8-3-6(10(14)15)4-12-9(8)13-7-1-2-16-5-7/h3-4,7H,1-2,5H2,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyAAHGFYCWNLHPBT-SSDOTTSWSA-N
XLogP1.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
CID 79727736
5-chloro-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 79728129
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine
CID 131042784
5-amino-6-(cyclooctylamino)pyridine-3-carboxylic acid
CID 81438891
4-fluoro-2-nitro-5-(oxolan-3-ylamino)benzoic acid
CID 80713505
3-bromo-2-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80716678
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
CID 81441566
3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid
CID 167830102
5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 80713163
4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 67087192
2-amino-3-fluoro-6-(oxolan-3-ylamino)benzoic acid
CID 83205952

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid (CID 167971128) is 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cnc(N[C@@H]2CCOC2)c(F)c1.
What is the InChIKey of 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is AAHGFYCWNLHPBT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-8-3-6(10(14)15)4-12-9(8)13-7-1-2-16-5-7/h3-4,7H,1-2,5H2,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid?
5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 226.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 167971128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).