(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone

C14H8Cl2N2O2 — CID 166063514

IUPAC(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2ncccc21
InChIInChI=1S/C14H8Cl2N2O2/c15-9-6-8(7-10(16)13(9)19)14(20)18-5-3-11-12(18)2-1-4-17-11/h1-7,19H
InChIKeyBTLSITZPBGUVBU-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.74
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone

(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone (PubChem CID 166063514) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
PubChem CID166063514
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2ncccc21
InChIInChI=1S/C14H8Cl2N2O2/c15-9-6-8(7-10(16)13(9)19)14(20)18-5-3-11-12(18)2-1-4-17-11/h1-7,19H
InChIKeyBTLSITZPBGUVBU-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-Tetrahydro pyrido[3,4-b]indole 33
CID 6539948
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
CID 166063502
(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 166063508
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[2,3-c]pyridin-1-ylmethanone
CID 166063512
(3-chloro-4-hydroxyphenyl)-[9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]methanone
CID 9889160
(3,5-dichloro-4-hydroxyphenyl)-[9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]methanone
CID 9934354
(3,5-dichloro-4-hydroxyphenyl)-[9-[(4-fluorophenyl)methyl]-1H-pyrido[3,4-b]indol-2-yl]methanone
CID 91234022
(3-Chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
CID 164867663
(3-Chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
CID 164867722
3-chloro-4-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82794803
3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide
CID 103793435
3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide
CID 122149859

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone (CID 166063514) is (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone is O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2ncccc21.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone?
The InChIKey is BTLSITZPBGUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-9-6-8(7-10(16)13(9)19)14(20)18-5-3-11-12(18)2-1-4-17-11/h1-7,19H.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone?
(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone has a molecular weight of 307.14 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone is sourced from PubChem (CID 166063514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).