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

C15H14ClFN2O2 — CID 158178368

IUPAC(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESC[C@]1(c2cccc(F)c2)Cc2cc(C(=O)O)cnc2N1.Cl
InChIInChI=1S/C15H13FN2O2.ClH/c1-15(11-3-2-4-12(16)6-11)7-9-5-10(14(19)20)8-17-13(9)18-15;/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20);1H/t15-;/m1./s1
InChIKeyILKXTGQKDWKKDW-XFULWGLBSA-N
MW308.74 g/mol
LogP3.22
Rot. Bonds2

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

(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (PubChem CID 158178368) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
PubChem CID158178368
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESC[C@]1(c2cccc(F)c2)Cc2cc(C(=O)O)cnc2N1.Cl
InChIInChI=1S/C15H13FN2O2.ClH/c1-15(11-3-2-4-12(16)6-11)7-9-5-10(14(19)20)8-17-13(9)18-15;/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20);1H/t15-;/m1./s1
InChIKeyILKXTGQKDWKKDW-XFULWGLBSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride with MolForge

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 146421619
N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 146436304
5-(3-fluorophenyl)-5-methyl-1,4-dihydroimidazol-2-amine
CID 79509455
N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 146430205
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
3-[(3S)-1-[2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146430135
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 46963770
[3-(3-chloro-6-methyl-5,7-dihydropyrrolo[2,3-c]pyridazin-6-yl)phenyl]methyl azetidine-1-carboxylate
CID 175463967
[3-(3-fluorophenyl)azetidin-3-yl] 2,2-dimethylpropanoate
CID 174763623
2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid
CID 105481638
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 66815672
1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine-7-carboxylic acid
CID 130067287

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (CID 158178368) is (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is C[C@]1(c2cccc(F)c2)Cc2cc(C(=O)O)cnc2N1.Cl.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is ILKXTGQKDWKKDW-XFULWGLBSA-N. The full InChI is InChI=1S/C15H13FN2O2.ClH/c1-15(11-3-2-4-12(16)6-11)7-9-5-10(14(19)20)8-17-13(9)18-15;/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20);1H/t15-;/m1./s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 308.74 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 158178368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).