(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C12H7ClN2O2 — CID 106683904

IUPAC(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1ccc(Cl)o1)c1c[nH]c2ccncc12
InChIInChI=1S/C12H7ClN2O2/c13-11-2-1-10(17-11)12(16)8-6-15-9-3-4-14-5-7(8)9/h1-6,15H
InChIKeyCHUOPYVXZBXFMF-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.04
Rot. Bonds2

About (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 106683904) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID106683904
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1ccc(Cl)o1)c1c[nH]c2ccncc12
InChIInChI=1S/C12H7ClN2O2/c13-11-2-1-10(17-11)12(16)8-6-15-9-3-4-14-5-7(8)9/h1-6,15H
InChIKeyCHUOPYVXZBXFMF-UHFFFAOYSA-N
XLogP3.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 106683863
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626646
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397
1-benzothiophen-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626609
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626680
(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 114029204
(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626761
2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 102626478
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 106683904) is (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is O=C(c1ccc(Cl)o1)c1c[nH]c2ccncc12.
What is the InChIKey of (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is CHUOPYVXZBXFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-11-2-1-10(17-11)12(16)8-6-15-9-3-4-14-5-7(8)9/h1-6,15H.
What are the key properties of (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 246.65 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 106683904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).