methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

C15H11FN2O3 — CID 66713127

IUPACmethyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)
InChIKeyWOXIJNIAUMZYEL-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.28
Rot. Bonds3

About methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate (PubChem CID 66713127) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
PubChem CID66713127
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Namemethyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)
InChIKeyWOXIJNIAUMZYEL-UHFFFAOYSA-N
XLogP3.28
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tnik-IN-3
CID 162641720
4-[(3-methoxyphenyl)methyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 162514806
4-[(3-methoxyphenyl)methyl]-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 164619238
4-[(4-methoxyphenyl)methyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 168272684
4-[(4-fluoro-3-methoxyphenyl)methyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 168274830
4-[(3-methoxyphenyl)methyl]-8-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 168281763
methyl 3-[[5-oxo-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4-yl]methyl]benzoate
CID 168285684
2-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 168286073
4-[(3-methoxyphenyl)methyl]-2,2-dimethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-1,4-benzoxazepin-5-one
CID 168287644
8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 168289550
4-[(2,5-difluorophenyl)methyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 168291476
methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 46866423

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate?
The IUPAC name of methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate (CID 66713127) is methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate.
What is the SMILES notation for methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate?
The canonical SMILES for methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate is COC(=O)c1ccc(F)cc1Oc1cnc2[nH]ccc2c1.
What is the InChIKey of methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate?
The InChIKey is WOXIJNIAUMZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate?
methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate has a molecular weight of 286.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate is sourced from PubChem (CID 66713127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).