4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid

C12H11FN2O2 — CID 175400792

IUPAC4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1nc(F)ccc1-c1c(C(=O)O)c[nH]c1C
InChIInChI=1S/C12H11FN2O2/c1-6-8(3-4-10(13)15-6)11-7(2)14-5-9(11)12(16)17/h3-5,14H,1-2H3,(H,16,17)
InChIKeySBMHHVKPJYKJDP-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.53
Rot. Bonds2

About 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid

4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 175400792) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID175400792
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1nc(F)ccc1-c1c(C(=O)O)c[nH]c1C
InChIInChI=1S/C12H11FN2O2/c1-6-8(3-4-10(13)15-6)11-7(2)14-5-9(11)12(16)17/h3-5,14H,1-2H3,(H,16,17)
InChIKeySBMHHVKPJYKJDP-UHFFFAOYSA-N
XLogP2.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-methylpyridine-3-carbonyl bromide
CID 119084429
4-acetyl-5-methyl-1H-pyrrole-3-carboxylic acid
CID 57357248
3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
CID 164893881
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
3-(2-fluorophenyl)-1H-pyrrole-2,4-dicarboxylic acid
CID 12665464
2-(2,6-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118836187
6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313893
2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118815134
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118813640
5-(4-fluorophenyl)-6-methyl-2-propylpyridine-3-carboxylic acid
CID 114834320
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid (CID 175400792) is 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid is Cc1nc(F)ccc1-c1c(C(=O)O)c[nH]c1C.
What is the InChIKey of 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is SBMHHVKPJYKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-6-8(3-4-10(13)15-6)11-7(2)14-5-9(11)12(16)17/h3-5,14H,1-2H3,(H,16,17).
What are the key properties of 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid?
4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-methyl-3-pyridinyl)-5-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 175400792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).