6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid

C16H15ClN2O3 — CID 121427679

IUPAC6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(O)(c3ccccc3Cl)C2)nc1
InChIInChI=1S/C16H15ClN2O3/c17-13-4-2-1-3-12(13)16(22)7-8-19(10-16)14-6-5-11(9-18-14)15(20)21/h1-6,9,22H,7-8,10H2,(H,20,21)
InChIKeyMIZNKVACSSSRNG-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.53
Rot. Bonds3

About 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid

6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 121427679) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID121427679
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(O)(c3ccccc3Cl)C2)nc1
InChIInChI=1S/C16H15ClN2O3/c17-13-4-2-1-3-12(13)16(22)7-8-19(10-16)14-6-5-11(9-18-14)15(20)21/h1-6,9,22H,7-8,10H2,(H,20,21)
InChIKeyMIZNKVACSSSRNG-UHFFFAOYSA-N
XLogP2.53
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 121427679) is 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(O)(c3ccccc3Cl)C2)nc1.
What is the InChIKey of 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MIZNKVACSSSRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-13-4-2-1-3-12(13)16(22)7-8-19(10-16)14-6-5-11(9-18-14)15(20)21/h1-6,9,22H,7-8,10H2,(H,20,21).
What are the key properties of 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 318.76 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 121427679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).