5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C11H10ClF3N2O2 — CID 162444888

IUPAC5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(C(F)(F)F)C2)c(Cl)c1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-16-9(8)17-2-1-7(5-17)11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19)
InChIKeyPRVQYKWLLGVXGV-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.82
Rot. Bonds2

About 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 162444888) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID162444888
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(C(F)(F)F)C2)c(Cl)c1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-16-9(8)17-2-1-7(5-17)11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19)
InChIKeyPRVQYKWLLGVXGV-UHFFFAOYSA-N
XLogP2.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
5-Chloronicotinic acid
CID 247986
6-[Methyl(propyl)amino]pyridine-3-carboxylic acid
CID 43271548
2-(Piperidin-1-yl)pyridine-3-carboxylic acid
CID 2794673
6-(Diethylamino)pyridine-3-carboxylic acid
CID 16772244
2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid
CID 214597
Methyl 2-amino-5-chloronicotinate
CID 15828199
2-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653570
6-(Dipropylamino)pyridine-3-carboxylic acid
CID 16775596
6-(Pyrrolidin-1-yl)nicotinic acid
CID 738055
5-Chloro-6-fluoropyridine-3-carboxylic acid
CID 3671579

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 162444888) is 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCC(C(F)(F)F)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is PRVQYKWLLGVXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-16-9(8)17-2-1-7(5-17)11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19).
What are the key properties of 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 294.66 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 162444888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).