3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid

C11H11FN2O2 — CID 138635769

IUPAC3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid
SMILESCc1cc(F)nc(C2=CCN(C(=O)O)C2)c1
InChIInChI=1S/C11H11FN2O2/c1-7-4-9(13-10(12)5-7)8-2-3-14(6-8)11(15)16/h2,4-5H,3,6H2,1H3,(H,15,16)
InChIKeyNMTPDHWFZXYHCA-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.91
Rot. Bonds1

About 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid

3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid (PubChem CID 138635769) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid
PubChem CID138635769
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid
SMILESCc1cc(F)nc(C2=CCN(C(=O)O)C2)c1
InChIInChI=1S/C11H11FN2O2/c1-7-4-9(13-10(12)5-7)8-2-3-14(6-8)11(15)16/h2,4-5H,3,6H2,1H3,(H,15,16)
InChIKeyNMTPDHWFZXYHCA-UHFFFAOYSA-N
XLogP1.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 20339596
4-(2-Fluoro-6-methyl-3-pyridinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 59505076
tert-butyl-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid
CID 66661293
tert-butyl-[(1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]carbamic acid
CID 66661468
1-(6-Fluoro-4-iodo-3-pyridinyl)ethyl-methylcarbamic acid
CID 66738602
(4-Fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66996853
4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67042051
[(1R)-1-phenylethyl]-[(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid
CID 67402099
[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-[(1R)-2,2,2-trifluoro-1-phenylethyl]carbamic acid
CID 67402101
[(1R)-1-phenylethyl]-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid
CID 67403432
[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-[(1R)-2,2,2-trifluoro-1-phenylethyl]carbamic acid
CID 67403433
2-phenylethyl-[(1R)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]carbamic acid
CID 67423071

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid?
The IUPAC name of 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid (CID 138635769) is 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid is Cc1cc(F)nc(C2=CCN(C(=O)O)C2)c1.
What is the InChIKey of 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid?
The InChIKey is NMTPDHWFZXYHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7-4-9(13-10(12)5-7)8-2-3-14(6-8)11(15)16/h2,4-5H,3,6H2,1H3,(H,15,16).
What are the key properties of 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid?
3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-4-methyl-2-pyridinyl)-2,5-dihydropyrrole-1-carboxylic acid is sourced from PubChem (CID 138635769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).