(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C16H14N2O3 — CID 102626742

IUPAC(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1c[nH]c2ccncc12
InChIInChI=1S/C16H14N2O3/c1-20-13-4-3-5-14(21-2)15(13)16(19)11-9-18-12-6-7-17-8-10(11)12/h3-9,18H,1-2H3
InChIKeyZDHATYQKYUSBSF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.81
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626742) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626742
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1c[nH]c2ccncc12
InChIInChI=1S/C16H14N2O3/c1-20-13-4-3-5-14(21-2)15(13)16(19)11-9-18-12-6-7-17-8-10(11)12/h3-9,18H,1-2H3
InChIKeyZDHATYQKYUSBSF-UHFFFAOYSA-N
XLogP2.81
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626761
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626921
(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-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
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 114029204
(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103134021
6-methoxy-5H-pyrido[4,3-b]indole
CID 91665960
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626742) is (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is COc1cccc(OC)c1C(=O)c1c[nH]c2ccncc12.
What is the InChIKey of (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is ZDHATYQKYUSBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-4-3-5-14(21-2)15(13)16(19)11-9-18-12-6-7-17-8-10(11)12/h3-9,18H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 282.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).