2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid

C17H12ClN3O4 — CID 137292390

IUPAC2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2cc(Cl)cnc21
InChIInChI=1S/C17H12ClN3O4/c18-11-7-14-16(19-8-11)21(9-15(23)24)17(25)13(20-14)6-3-10-1-4-12(22)5-2-10/h1-8,22H,9H2,(H,23,24)/b6-3+
InChIKeyPDKUBIYWHDLCEN-ZZXKWVIFSA-N
MW357.75 g/mol
LogP2.41
Rot. Bonds4

About 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid

2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid (PubChem CID 137292390) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
PubChem CID137292390
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Name2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2cc(Cl)cnc21
InChIInChI=1S/C17H12ClN3O4/c18-11-7-14-16(19-8-11)21(9-15(23)24)17(25)13(20-14)6-3-10-1-4-12(22)5-2-10/h1-8,22H,9H2,(H,23,24)/b6-3+
InChIKeyPDKUBIYWHDLCEN-ZZXKWVIFSA-N
XLogP2.41
TPSA105.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid with MolForge

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Related Compounds

2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 137290276
2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 136961595
2-[6-chloro-2-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 93209836
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061717
2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 93209838
2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 134146352
N-(4-chlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031788
N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031789
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
2-[6-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961587
3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93209976
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The IUPAC name of 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid (CID 137292390) is 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid is O=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2cc(Cl)cnc21.
What is the InChIKey of 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The InChIKey is PDKUBIYWHDLCEN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c18-11-7-14-16(19-8-11)21(9-15(23)24)17(25)13(20-14)6-3-10-1-4-12(22)5-2-10/h1-8,22H,9H2,(H,23,24)/b6-3+.
What are the key properties of 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid has a molecular weight of 357.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid is sourced from PubChem (CID 137292390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).