1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine

C14H10ClN3O — CID 175937702

IUPAC1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine
SMILESCOc1cc(Cl)ccc1-c1nncc2cnccc12
InChIInChI=1S/C14H10ClN3O/c1-19-13-6-10(15)2-3-12(13)14-11-4-5-16-7-9(11)8-17-18-14/h2-8H,1H3
InChIKeyDXWFQPWYMWUGCW-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.35
Rot. Bonds2

About 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine

1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine (PubChem CID 175937702) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine
PubChem CID175937702
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine
SMILESCOc1cc(Cl)ccc1-c1nncc2cnccc12
InChIInChI=1S/C14H10ClN3O/c1-19-13-6-10(15)2-3-12(13)14-11-4-5-16-7-9(11)8-17-18-14/h2-8H,1H3
InChIKeyDXWFQPWYMWUGCW-UHFFFAOYSA-N
XLogP3.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine (CID 175937702) is 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine is COc1cc(Cl)ccc1-c1nncc2cnccc12.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine?
The InChIKey is DXWFQPWYMWUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-19-13-6-10(15)2-3-12(13)14-11-4-5-16-7-9(11)8-17-18-14/h2-8H,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine?
1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine has a molecular weight of 271.71 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine is sourced from PubChem (CID 175937702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).