4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C15H13ClN2O — CID 172570987

IUPAC4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccccc1-c1cc2c(Cl)ccnc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-2-19-14-6-4-3-5-10(14)13-9-11-12(16)7-8-17-15(11)18-13/h3-9H,2H2,1H3,(H,17,18)
InChIKeyDQDBSJJLIRSWHZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 172570987) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID172570987
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccccc1-c1cc2c(Cl)ccnc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-2-19-14-6-4-3-5-10(14)13-9-11-12(16)7-8-17-15(11)18-13/h3-9H,2H2,1H3,(H,17,18)
InChIKeyDQDBSJJLIRSWHZ-UHFFFAOYSA-N
XLogP4.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 172571144
4-chloro-2-(2-ethoxyphenyl)pyridine
CID 102825098
4-(2-ethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286764
4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 164572804
4-(2-ethoxyphenyl)pyridine
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ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 92715293
6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one
CID 82518878
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol
CID 172570950
4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
CID 63547712
1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine
CID 60867864
3-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54852298

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 172570987) is 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CCOc1ccccc1-c1cc2c(Cl)ccnc2[nH]1.
What is the InChIKey of 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DQDBSJJLIRSWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-2-19-14-6-4-3-5-10(14)13-9-11-12(16)7-8-17-15(11)18-13/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 272.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172570987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).