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

C15H10ClFN2O2 — CID 102882309

IUPAC(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3nccc(Cl)c23)c(F)c1
InChIInChI=1S/C15H10ClFN2O2/c1-21-8-2-3-9(12(17)6-8)14(20)10-7-19-15-13(10)11(16)4-5-18-15/h2-7H,1H3,(H,18,19)
InChIKeyZPBZTRYAFQDHLB-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.60
Rot. Bonds3

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

(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102882309) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102882309
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3nccc(Cl)c23)c(F)c1
InChIInChI=1S/C15H10ClFN2O2/c1-21-8-2-3-9(12(17)6-8)14(20)10-7-19-15-13(10)11(16)4-5-18-15/h2-7H,1H3,(H,18,19)
InChIKeyZPBZTRYAFQDHLB-UHFFFAOYSA-N
XLogP3.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512689
(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115512690
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxy-4-methylphenyl)methanone
CID 115512615
(4-chloro-3-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107998394
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800
(3-amino-2,5-difluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107123749
(3-amino-4-methoxyphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512784
(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882260
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-chloro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methanone
CID 170669790
(3-bromo-5-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512642

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 102882309) is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c[nH]c3nccc(Cl)c23)c(F)c1.
What is the InChIKey of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is ZPBZTRYAFQDHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-21-8-2-3-9(12(17)6-8)14(20)10-7-19-15-13(10)11(16)4-5-18-15/h2-7H,1H3,(H,18,19).
What are the key properties of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 304.71 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102882309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).