6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine

C16H17F2N3O2 — CID 177245310

IUPAC6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine
SMILESCOc1nnc(-c2cccc(OCC3CC(F)(F)C3)n2)cc1C
InChIInChI=1S/C16H17F2N3O2/c1-10-6-13(20-21-15(10)22-2)12-4-3-5-14(19-12)23-9-11-7-16(17,18)8-11/h3-6,11H,7-9H2,1-2H3
InChIKeyCPYWCAXCFQGRJA-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.28
Rot. Bonds5

About 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine

6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine (PubChem CID 177245310) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine.

Molecular Properties

Compound Name6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine
PubChem CID177245310
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine
SMILESCOc1nnc(-c2cccc(OCC3CC(F)(F)C3)n2)cc1C
InChIInChI=1S/C16H17F2N3O2/c1-10-6-13(20-21-15(10)22-2)12-4-3-5-14(19-12)23-9-11-7-16(17,18)8-11/h3-6,11H,7-9H2,1-2H3
InChIKeyCPYWCAXCFQGRJA-UHFFFAOYSA-N
XLogP3.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine
CID 126954339
6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one
CID 126954698
N-[1-(3,3-difluorocyclobutyl)propan-2-ylsulfanyl]-4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-amine
CID 145191293
4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline
CID 136576079
2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline
CID 160890101
2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
CID 171705210
6-(6-ethoxy-2-pyridinyl)pyridazin-3-amine
CID 142791176
[6-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291669
4-[(3,3-difluorocyclopentyl)methoxy]-3-methoxyaniline
CID 114223611
5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile
CID 126954354
2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine
CID 123762675
[6-(cyclopropylmethoxy)-2-pyridinyl]methanol
CID 62240903

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine?
The IUPAC name of 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine (CID 177245310) is 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine.
What is the SMILES notation for 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine?
The canonical SMILES for 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine is COc1nnc(-c2cccc(OCC3CC(F)(F)C3)n2)cc1C.
What is the InChIKey of 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine?
The InChIKey is CPYWCAXCFQGRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-6-13(20-21-15(10)22-2)12-4-3-5-14(19-12)23-9-11-7-16(17,18)8-11/h3-6,11H,7-9H2,1-2H3.
What are the key properties of 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine?
6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine has a molecular weight of 321.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine is sourced from PubChem (CID 177245310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).