(2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid

C15H14ClN3O2 — CID 59867508

IUPAC(2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1nnc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-11-9-12(10-5-2-1-3-6-10)17-18-14(11)19-8-4-7-13(19)15(20)21/h1-3,5-6,9,13H,4,7-8H2,(H,20,21)/t13-/m0/s1
InChIKeyWZSVBCVDSFBSBK-ZDUSSCGKSA-N
MW303.75 g/mol
LogP2.85
Rot. Bonds3

About (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 59867508) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID59867508
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name(2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1nnc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-11-9-12(10-5-2-1-3-6-10)17-18-14(11)19-8-4-7-13(19)15(20)21/h1-3,5-6,9,13H,4,7-8H2,(H,20,21)/t13-/m0/s1
InChIKeyWZSVBCVDSFBSBK-ZDUSSCGKSA-N
XLogP2.85
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 122051768
1-(5-oxo-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 53212749
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid
CID 97169146
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 54206458
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768
(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059729
(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid (CID 59867508) is (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1nnc(-c2ccccc2)cc1Cl.
What is the InChIKey of (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WZSVBCVDSFBSBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-9-12(10-5-2-1-3-6-10)17-18-14(11)19-8-4-7-13(19)15(20)21/h1-3,5-6,9,13H,4,7-8H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 303.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-6-phenylpyridazin-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59867508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).