2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid

C7H7ClN2O3 — CID 162727522

IUPAC2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1c(Cl)cnn(CC(=O)O)c1=O
InChIInChI=1S/C7H7ClN2O3/c1-4-5(8)2-9-10(7(4)13)3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyGOLHDIAELAXIMU-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.29
Rot. Bonds2

About 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid

2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 162727522) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid
PubChem CID162727522
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1c(Cl)cnn(CC(=O)O)c1=O
InChIInChI=1S/C7H7ClN2O3/c1-4-5(8)2-9-10(7(4)13)3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyGOLHDIAELAXIMU-UHFFFAOYSA-N
XLogP0.29
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid
CID 162727134
2-(4-Fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 162727474
2-[4-Chloro-5-(difluoromethyl)-6-oxopyridazin-1-yl]acetic acid
CID 162727688
Methyl 2-[4-chloro-5-(difluoromethyl)-6-oxopyridazin-1-yl]acetate
CID 162728088
2-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid
CID 162728183
(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 175703311
2-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 13881557
2-(3-Chloro-4-methyl-6-oxopyridazin-1-yl)acetic acid
CID 156400868
2-(3-Chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid
CID 156400869
2-[4-Chloro-5-[(dimethylamino)methyl]-6-oxopyridazin-1-yl]acetic acid
CID 162727131
Ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate
CID 162727198
Methyl 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)acetate
CID 162727211

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid (CID 162727522) is 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid is Cc1c(Cl)cnn(CC(=O)O)c1=O.
What is the InChIKey of 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is GOLHDIAELAXIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-4-5(8)2-9-10(7(4)13)3-6(11)12/h2H,3H2,1H3,(H,11,12).
What are the key properties of 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 202.60 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 162727522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).