(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C18H11ClN2O2S — CID 134450440

IUPAC(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1O)c1c[nH]c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C18H11ClN2O2S/c19-15-3-1-2-12(17(15)23)16(22)14-8-21-18-13(14)6-11(7-20-18)10-4-5-24-9-10/h1-9,23H,(H,20,21)
InChIKeyOJCZQQPVJYUAQK-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.88
Rot. Bonds3

About (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 134450440) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID134450440
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC Name(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1O)c1c[nH]c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C18H11ClN2O2S/c19-15-3-1-2-12(17(15)23)16(22)14-8-21-18-13(14)6-11(7-20-18)10-4-5-24-9-10/h1-9,23H,(H,20,21)
InChIKeyOJCZQQPVJYUAQK-UHFFFAOYSA-N
XLogP4.88
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11450654
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CID 11209054
4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol
CID 118967684
(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884994
1-[3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]ethanone
CID 143385170
6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one
CID 58087908
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CID 163410662
(E)-3-[3-[3-(2,4-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid
CID 58087277
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 135248889
[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-pyrrolidin-1-ylphenyl)methanone
CID 90116750
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
[5-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 134450440) is (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cccc(Cl)c1O)c1c[nH]c2ncc(-c3ccsc3)cc12.
What is the InChIKey of (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is OJCZQQPVJYUAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/c19-15-3-1-2-12(17(15)23)16(22)14-8-21-18-13(14)6-11(7-20-18)10-4-5-24-9-10/h1-9,23H,(H,20,21).
What are the key properties of (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 354.82 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 134450440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).