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

C15H14FN3O2 — CID 146380824

IUPAC5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(N2CCC[C@H]2c2cccc(F)c2)cn1
InChIInChI=1S/C15H14FN3O2/c16-11-4-1-3-10(7-11)13-5-2-6-19(13)12-8-17-14(15(20)21)18-9-12/h1,3-4,7-9,13H,2,5-6H2,(H,20,21)/t13-/m0/s1
InChIKeyRUNJLCPCAUVZSL-ZDUSSCGKSA-N
MW287.29 g/mol
LogP2.66
Rot. Bonds3

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

5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid (PubChem CID 146380824) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid
PubChem CID146380824
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(N2CCC[C@H]2c2cccc(F)c2)cn1
InChIInChI=1S/C15H14FN3O2/c16-11-4-1-3-10(7-11)13-5-2-6-19(13)12-8-17-14(15(20)21)18-9-12/h1,3-4,7-9,13H,2,5-6H2,(H,20,21)/t13-/m0/s1
InChIKeyRUNJLCPCAUVZSL-ZDUSSCGKSA-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-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 156774048
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 146380893
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-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
(1R)-N-[5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-2-yl]-2-(1-hydroxyethyl)-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
CID 146388197
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 56940863
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 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid (CID 146380824) is 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid is O=C(O)c1ncc(N2CCC[C@H]2c2cccc(F)c2)cn1.
What is the InChIKey of 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid?
The InChIKey is RUNJLCPCAUVZSL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-11-4-1-3-10(7-11)13-5-2-6-19(13)12-8-17-14(15(20)21)18-9-12/h1,3-4,7-9,13H,2,5-6H2,(H,20,21)/t13-/m0/s1.
What are the key properties of 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid?
5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-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 5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 146380824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).