phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C14H10N2O — CID 10998603

IUPACphenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H10N2O/c17-13(10-5-2-1-3-6-10)12-9-16-14-11(12)7-4-8-15-14/h1-9H,(H,15,16)
InChIKeySDTVSOYPNNRGOJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.79
Rot. Bonds2

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

phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 10998603) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Namephenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID10998603
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Namephenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H10N2O/c17-13(10-5-2-1-3-6-10)12-9-16-14-11(12)7-4-8-15-14/h1-9H,(H,15,16)
InChIKeySDTVSOYPNNRGOJ-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520147
1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 70320240
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 104784944
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376

Frequently Asked Questions

What is the IUPAC name of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 10998603) is phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is SDTVSOYPNNRGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-13(10-5-2-1-3-6-10)12-9-16-14-11(12)7-4-8-15-14/h1-9H,(H,15,16).
What are the key properties of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 222.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 10998603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).