1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine

C14H10ClN3O — CID 62140419

IUPAC1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine
SMILESCc1ccc(Oc2nnc(Cl)c3ccccc23)cn1
InChIInChI=1S/C14H10ClN3O/c1-9-6-7-10(8-16-9)19-14-12-5-3-2-4-11(12)13(15)17-18-14/h2-8H,1H3
InChIKeyZRXHXNFPMHBWEJ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.78
Rot. Bonds2

About 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine

1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine (PubChem CID 62140419) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine.

Molecular Properties

Compound Name1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine
PubChem CID62140419
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine
SMILESCc1ccc(Oc2nnc(Cl)c3ccccc23)cn1
InChIInChI=1S/C14H10ClN3O/c1-9-6-7-10(8-16-9)19-14-12-5-3-2-4-11(12)13(15)17-18-14/h2-8H,1H3
InChIKeyZRXHXNFPMHBWEJ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenoxy)-4-(pyridin-4-ylmethyl)phthalazine
CID 6326414
1-Phenyl-4-(pyridin-3-ylmethoxy)phthalazine
CID 2946660
1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenyl-phthalazine
CID 9952592
1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenylethynyl-phthalazine
CID 9953891
1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenoxy-phthalazine
CID 18332459
1-(3,5-Dichloro-pyridin-4-ylmethyl)-4-ethynyl-6-methoxy-phthalazine
CID 18381603
8-((3-chloropyridin-4-yl)methoxy)-2-methyl-4-(1-methyl-1H-pyrazol-5-yl)quinoline
CID 44190672
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-pyrazol-1-yl-quinoline
CID 44191225
(2S)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-N,N-dimethyl-3-phenylpropan-2-amine
CID 44340843
2-(3-chlorophenyl)-3-(111C)methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168269904
US10155760, Example 229
CID 118420004
US10155760, Example 231
CID 118420112

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine?
The IUPAC name of 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine (CID 62140419) is 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine.
What is the SMILES notation for 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine?
The canonical SMILES for 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine is Cc1ccc(Oc2nnc(Cl)c3ccccc23)cn1.
What is the InChIKey of 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine?
The InChIKey is ZRXHXNFPMHBWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-6-7-10(8-16-9)19-14-12-5-3-2-4-11(12)13(15)17-18-14/h2-8H,1H3.
What are the key properties of 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine?
1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine has a molecular weight of 271.71 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine is sourced from PubChem (CID 62140419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).