(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C15H11FN2O2 — CID 62919036

IUPAC(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ncccc23)cc1F
InChIInChI=1S/C15H11FN2O2/c1-20-13-5-4-9(7-12(13)16)14(19)11-8-18-15-10(11)3-2-6-17-15/h2-8H,1H3,(H,17,18)
InChIKeyDUOMZJITUPYDOT-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.94
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 62919036) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID62919036
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ncccc23)cc1F
InChIInChI=1S/C15H11FN2O2/c1-20-13-5-4-9(7-12(13)16)14(19)11-8-18-15-10(11)3-2-6-17-15/h2-8H,1H3,(H,17,18)
InChIKeyDUOMZJITUPYDOT-UHFFFAOYSA-N
XLogP2.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 104784944
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086108
1-(3,4-dimethoxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58087732
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919876
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
[3-[(3,4-difluoroanilino)methylamino]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384675

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 62919036) is (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is COc1ccc(C(=O)c2c[nH]c3ncccc23)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is DUOMZJITUPYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-13-5-4-9(7-12(13)16)14(19)11-8-18-15-10(11)3-2-6-17-15/h2-8H,1H3,(H,17,18).
What are the key properties of (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 270.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 62919036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).