4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid

C9H12FNO2 — CID 174315821

IUPAC4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid
SMILESCCCc1c(F)cn(C)c1C(=O)O
InChIInChI=1S/C9H12FNO2/c1-3-4-6-7(10)5-11(2)8(6)9(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyMLSAJWPPFPRPKE-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.81
Rot. Bonds3

About 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid

4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid (PubChem CID 174315821) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid
PubChem CID174315821
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid
SMILESCCCc1c(F)cn(C)c1C(=O)O
InChIInChI=1S/C9H12FNO2/c1-3-4-6-7(10)5-11(2)8(6)9(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyMLSAJWPPFPRPKE-UHFFFAOYSA-N
XLogP1.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
CID 165347604
carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol
CID 144705849
1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
CID 84720420
2-(5-ethoxycarbonyl-4-fluoro-1-methylpyrrol-3-yl)-2-oxoacetic acid
CID 121409825
1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid
CID 116851742
3-fluoro-2-pentylbenzoic acid
CID 173336327
4-fluoro-3-propylbenzoic acid
CID 11745258
4-fluoro-5-propylthiophene-2-carboxylic acid
CID 22134237
5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
CID 84730225
4-propyl-5-sulfobenzene-1,3-dicarboxylic acid
CID 87457242
4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid
CID 114020659
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid (CID 174315821) is 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid is CCCc1c(F)cn(C)c1C(=O)O.
What is the InChIKey of 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid?
The InChIKey is MLSAJWPPFPRPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-3-4-6-7(10)5-11(2)8(6)9(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid?
4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid has a molecular weight of 185.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 174315821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).