2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid

C15H14FN3O2 — CID 156774048

IUPAC2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC2c2cccc(F)c2)nc1
InChIInChI=1S/C15H14FN3O2/c16-12-4-1-3-10(7-12)13-5-2-6-19(13)15-17-8-11(9-18-15)14(20)21/h1,3-4,7-9,13H,2,5-6H2,(H,20,21)
InChIKeyOLJSUDMJYRRNSS-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.66
Rot. Bonds3

About 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid

2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 156774048) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID156774048
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC2c2cccc(F)c2)nc1
InChIInChI=1S/C15H14FN3O2/c16-12-4-1-3-10(7-12)13-5-2-6-19(13)15-17-8-11(9-18-15)14(20)21/h1,3-4,7-9,13H,2,5-6H2,(H,20,21)
InChIKeyOLJSUDMJYRRNSS-UHFFFAOYSA-N
XLogP2.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 146380893
5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid
CID 146380824
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
CID 86663106
2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[3-(1-methylindol-3-yl)propyl]pyrimidine-5-carboxylic acid
CID 124979346
2-[2-(3-bromophenyl)pyrrolidin-1-yl]-4-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxylic acid
CID 110161728
2-[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-4-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxylic acid
CID 129455860
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2,5-dihydropyrrole-1-carboxylic acid
CID 166784412
methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133490158

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid (CID 156774048) is 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCCC2c2cccc(F)c2)nc1.
What is the InChIKey of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is OLJSUDMJYRRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-4-1-3-10(7-12)13-5-2-6-19(13)15-17-8-11(9-18-15)14(20)21/h1,3-4,7-9,13H,2,5-6H2,(H,20,21).
What are the key properties of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 156774048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).