2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid

C9H8FNO6 — CID 170824385

IUPAC2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(O)C(O)C(=O)O)c1F
InChIInChI=1S/C9H8FNO6/c10-4-3(8(14)15)1-2-11-5(4)6(12)7(13)9(16)17/h1-2,6-7,12-13H,(H,14,15)(H,16,17)
InChIKeySDLUFKLHNBJZLA-UHFFFAOYSA-N
MW245.16 g/mol
LogP-0.60
Rot. Bonds4

About 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid

2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid (PubChem CID 170824385) has the molecular formula C9H8FNO6 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid
PubChem CID170824385
Molecular FormulaC9H8FNO6
Molecular Weight245.16 g/mol
Exact Mass245.03
IUPAC Name2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(O)C(O)C(=O)O)c1F
InChIInChI=1S/C9H8FNO6/c10-4-3(8(14)15)1-2-11-5(4)6(12)7(13)9(16)17/h1-2,6-7,12-13H,(H,14,15)(H,16,17)
InChIKeySDLUFKLHNBJZLA-UHFFFAOYSA-N
XLogP-0.60
TPSA127.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dihydroxy-3-sulfanylpropyl)-3-fluoropyridine-4-carboxylic acid
CID 170820304
2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
2-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-3-fluoropyridine-4-carboxylic acid
CID 171897810
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid
CID 171856350
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466
5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid
CID 170824217
3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid
CID 105379985
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130098061
2-(2-carboxy-1,2-dihydroxyethyl)-5-methylbenzoic acid
CID 170824270
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid
CID 170483944

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid (CID 170824385) is 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid is O=C(O)c1ccnc(C(O)C(O)C(=O)O)c1F.
What is the InChIKey of 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is SDLUFKLHNBJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO6/c10-4-3(8(14)15)1-2-11-5(4)6(12)7(13)9(16)17/h1-2,6-7,12-13H,(H,14,15)(H,16,17).
What are the key properties of 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid?
2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of -0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 170824385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).