ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate

C10H10Cl2N2O2 — CID 171935288

IUPACethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Cl)nnc(Cl)c1C1CC1
InChIInChI=1S/C10H10Cl2N2O2/c1-2-16-10(15)7-6(5-3-4-5)8(11)13-14-9(7)12/h5H,2-4H2,1H3
InChIKeyKXHNYVVVGCPIEE-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.84
Rot. Bonds3

About ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate

ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate (PubChem CID 171935288) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate
PubChem CID171935288
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Nameethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Cl)nnc(Cl)c1C1CC1
InChIInChI=1S/C10H10Cl2N2O2/c1-2-16-10(15)7-6(5-3-4-5)8(11)13-14-9(7)12/h5H,2-4H2,1H3
InChIKeyKXHNYVVVGCPIEE-UHFFFAOYSA-N
XLogP2.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
CID 165398321
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate
CID 155593645
ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
CID 174944761
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202
ethyl 2-chloro-6-cyclopropylpyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
CID 175912460
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
2,5-dichloro-4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 139767095
ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
CID 23364517
ethyl 4-cyclopropyl-2,8-dimethyl-5-oxo-6,7,8,9-tetrahydrocyclohepta[b]pyridine-3-carboxylate
CID 143246600

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate (CID 171935288) is ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate is CCOC(=O)c1c(Cl)nnc(Cl)c1C1CC1.
What is the InChIKey of ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate?
The InChIKey is KXHNYVVVGCPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-2-16-10(15)7-6(5-3-4-5)8(11)13-14-9(7)12/h5H,2-4H2,1H3.
What are the key properties of ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate?
ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate has a molecular weight of 261.11 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate is sourced from PubChem (CID 171935288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).