(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid

C13H14FN3O2 — CID 174215674

IUPAC(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1Cn1ncc2ccc(F)cc21
InChIInChI=1S/C13H14FN3O2/c14-10-4-3-9-7-15-17(12(9)6-10)8-11-2-1-5-16(11)13(18)19/h3-4,6-7,11H,1-2,5,8H2,(H,18,19)/t11-/m1/s1
InChIKeyMSAQMSULLKFLLM-LLVKDONJSA-N
MW263.27 g/mol
LogP2.32
Rot. Bonds2

About (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid

(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 174215674) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid
PubChem CID174215674
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1Cn1ncc2ccc(F)cc21
InChIInChI=1S/C13H14FN3O2/c14-10-4-3-9-7-15-17(12(9)6-10)8-11-2-1-5-16(11)13(18)19/h3-4,6-7,11H,1-2,5,8H2,(H,18,19)/t11-/m1/s1
InChIKeyMSAQMSULLKFLLM-LLVKDONJSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole
CID 174227473
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 90464997
(2S)-2-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 90117469
1-benzyl-6-fluoroindazole
CID 83414179
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95339200
(6-fluoro-1-benzothiophen-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81104737
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 55186080
2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 16671396
6-fluoroindazol-1-amine
CID 83413973
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
CID 141275744
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004
2-[[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid (CID 174215674) is (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@@H]1Cn1ncc2ccc(F)cc21.
What is the InChIKey of (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is MSAQMSULLKFLLM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-10-4-3-9-7-15-17(12(9)6-10)8-11-2-1-5-16(11)13(18)19/h3-4,6-7,11H,1-2,5,8H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174215674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).