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

C14H9ClN2O — CID 43339358

IUPAC(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1ccccc1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C14H9ClN2O/c15-12-6-2-1-4-10(12)13(18)11-8-17-14-9(11)5-3-7-16-14/h1-8H,(H,16,17)
InChIKeySEQGIBSGWLOEMX-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.45
Rot. Bonds2

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

(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 43339358) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID43339358
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1ccccc1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C14H9ClN2O/c15-12-6-2-1-4-10(12)13(18)11-8-17-14-9(11)5-3-7-16-14/h1-8H,(H,16,17)
InChIKeySEQGIBSGWLOEMX-UHFFFAOYSA-N
XLogP3.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.45
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
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
(3-amino-6-chloro-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68670468
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43463223
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 43339358) is (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1ccccc1Cl)c1c[nH]c2ncccc12.
What is the InChIKey of (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is SEQGIBSGWLOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-6-2-1-4-10(12)13(18)11-8-17-14-9(11)5-3-7-16-14/h1-8H,(H,16,17).
What are the key properties of (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 256.69 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 43339358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).