2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid

C10H8FNO4 — CID 170483944

IUPAC2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)CC=Cc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H8FNO4/c11-9-6(10(15)16)4-5-12-7(9)2-1-3-8(13)14/h1-2,4-5H,3H2,(H,13,14)(H,15,16)
InChIKeyPRSHARUYRVLYEA-UHFFFAOYSA-N
MW225.18 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid

2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid (PubChem CID 170483944) has the molecular formula C10H8FNO4 and a molecular weight of 225.18 g/mol. Its IUPAC name is 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid
PubChem CID170483944
Molecular FormulaC10H8FNO4
Molecular Weight225.18 g/mol
Exact Mass225.04
IUPAC Name2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)CC=Cc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H8FNO4/c11-9-6(10(15)16)4-5-12-7(9)2-1-3-8(13)14/h1-2,4-5H,3H2,(H,13,14)(H,15,16)
InChIKeyPRSHARUYRVLYEA-UHFFFAOYSA-N
XLogP1.41
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid
CID 170487315
3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid
CID 169479279
4-[2-(trifluoromethyl)-4-pyridinyl]but-3-enoic acid
CID 170483926
4-(3,4,5-trifluorophenyl)but-3-enoic acid
CID 170483384
3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid
CID 105379985
4-(3-nitro-2-pyridinyl)but-3-enoic acid
CID 170483530
4-(2,3,4-trifluorophenyl)but-3-enoic acid
CID 170483379
2-[(2-bromophenyl)methoxy]-3-fluoropyridine-4-carboxylic acid
CID 105380097
4-(4-formyl-2-pyridinyl)but-3-enoic acid
CID 170483335
4-(2-methylsulfanylpyrimidin-5-yl)but-3-enoic acid
CID 170483203
4-pyridin-3-ylbut-3-enoic acid
CID 439
3-(4-amino-4-oxobut-1-enyl)-2-fluorobenzoic acid
CID 170798147

Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid (CID 170483944) is 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid is O=C(O)CC=Cc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is PRSHARUYRVLYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO4/c11-9-6(10(15)16)4-5-12-7(9)2-1-3-8(13)14/h1-2,4-5H,3H2,(H,13,14)(H,15,16).
What are the key properties of 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid?
2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 225.18 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 170483944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).