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

C14H8ClFN2O — CID 81453922

IUPAC(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(F)c1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C14H8ClFN2O/c15-12-9(3-1-5-11(12)16)13(19)10-7-18-14-8(10)4-2-6-17-14/h1-7H,(H,17,18)
InChIKeyVCHCHFFHBLWUAE-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.59
Rot. Bonds2

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

(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 81453922) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID81453922
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(F)c1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C14H8ClFN2O/c15-12-9(3-1-5-11(12)16)13(19)10-7-18-14-8(10)4-2-6-17-14/h1-7H,(H,17,18)
InChIKeyVCHCHFFHBLWUAE-UHFFFAOYSA-N
XLogP3.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.59
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-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
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
[2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 90025907
[3-[(4-chlorophenyl)methoxy]-2-(2,2-difluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086893
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-bromo-4-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339392
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376
(3-amino-6-chloro-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68670468
4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 66646772

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 81453922) is (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cccc(F)c1Cl)c1c[nH]c2ncccc12.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is VCHCHFFHBLWUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-12-9(3-1-5-11(12)16)13(19)10-7-18-14-8(10)4-2-6-17-14/h1-7H,(H,17,18).
What are the key properties of (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 274.68 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 81453922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).