3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C16H14ClFN2O2 — CID 97271005

IUPAC3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CC[C@H](c3ccccc3F)C2)ccc1Cl
InChIInChI=1S/C16H14ClFN2O2/c17-12-5-6-14(19-15(12)16(21)22)20-8-7-10(9-20)11-3-1-2-4-13(11)18/h1-6,10H,7-9H2,(H,21,22)/t10-/m0/s1
InChIKeyZJKXJZKWBKHSJK-JTQLQIEISA-N
MW320.75 g/mol
LogP3.57
Rot. Bonds3

About 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 97271005) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID97271005
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CC[C@H](c3ccccc3F)C2)ccc1Cl
InChIInChI=1S/C16H14ClFN2O2/c17-12-5-6-14(19-15(12)16(21)22)20-8-7-10(9-20)11-3-1-2-4-13(11)18/h1-6,10H,7-9H2,(H,21,22)/t10-/m0/s1
InChIKeyZJKXJZKWBKHSJK-JTQLQIEISA-N
XLogP3.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 97271005) is 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1nc(N2CC[C@H](c3ccccc3F)C2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZJKXJZKWBKHSJK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-12-5-6-14(19-15(12)16(21)22)20-8-7-10(9-20)11-3-1-2-4-13(11)18/h1-6,10H,7-9H2,(H,21,22)/t10-/m0/s1.
What are the key properties of 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 320.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 97271005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).