(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid

C15H13FN2O2 — CID 146421619

IUPAC(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESC[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)O)cnc2N1
InChIInChI=1S/C15H13FN2O2/c1-15(11-2-4-12(16)5-3-11)7-9-6-10(14(19)20)8-17-13(9)18-15/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)/t15-/m1/s1
InChIKeyMIEUIIPCZLGZCA-OAHLLOKOSA-N
MW272.28 g/mol
LogP2.80
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid

(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 146421619) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID146421619
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESC[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)O)cnc2N1
InChIInChI=1S/C15H13FN2O2/c1-15(11-2-4-12(16)5-3-11)7-9-6-10(14(19)20)8-17-13(9)18-15/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)/t15-/m1/s1
InChIKeyMIEUIIPCZLGZCA-OAHLLOKOSA-N
XLogP2.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Niflumic Acid
CID 4488
Flunixin
CID 38081
Metanixin
CID 10466908
Nixylic acid
CID 71827
2-(Benzylamino)nicotinic acid
CID 214596
6-(Phenylamino)nicotinic acid
CID 2771812
6'-(3-Ethylureido)-[3,3'-bipyridine]-5-carboxylic acid
CID 59208477
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
Nicotinic acid, 2-(cyclohexylamino)-
CID 215537
2-((2,4-Dimethylphenyl)amino)pyridine-3-carboxylic acid
CID 1174126
2-[(3-Fluorophenyl)amino]pyridine-3-carboxylic acid
CID 1432603
2-Anilinonicotinic acid
CID 1481799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 146421619) is (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid is C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)O)cnc2N1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is MIEUIIPCZLGZCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-15(11-2-4-12(16)5-3-11)7-9-6-10(14(19)20)8-17-13(9)18-15/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid?
(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 146421619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).