2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid

C10H9F3N2O2 — CID 165493636

IUPAC2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1N1CCC1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-4-7(9(16)17)8(14-5-6)15-2-1-3-15/h4-5H,1-3H2,(H,16,17)
InChIKeyMHWNNFQHLDPRQD-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.01
Rot. Bonds2

About 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 165493636) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID165493636
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1N1CCC1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-4-7(9(16)17)8(14-5-6)15-2-1-3-15/h4-5H,1-3H2,(H,16,17)
InChIKeyMHWNNFQHLDPRQD-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165489330
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525911
2-(azepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151302120
2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 90093440
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(3,5-difluorophenyl)methanone
CID 46680026
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 46679955

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 165493636) is 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cnc1N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is MHWNNFQHLDPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)6-4-7(9(16)17)8(14-5-6)15-2-1-3-15/h4-5H,1-3H2,(H,16,17).
What are the key properties of 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 246.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 165493636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).