6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile

C19H15ClN4O2 — CID 18440102

IUPAC6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(Cc3n[nH]c(=O)cc3C)ccc2Cl)c1
InChIInChI=1S/C19H15ClN4O2/c1-11-5-14(10-21)22-19(6-11)26-17-9-13(3-4-15(17)20)8-16-12(2)7-18(25)24-23-16/h3-7,9H,8H2,1-2H3,(H,24,25)
InChIKeyVNFUFFJDYSLPPY-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.69
Rot. Bonds4

About 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile

6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile (PubChem CID 18440102) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile
PubChem CID18440102
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(Cc3n[nH]c(=O)cc3C)ccc2Cl)c1
InChIInChI=1S/C19H15ClN4O2/c1-11-5-14(10-21)22-19(6-11)26-17-9-13(3-4-15(17)20)8-16-12(2)7-18(25)24-23-16/h3-7,9H,8H2,1-2H3,(H,24,25)
InChIKeyVNFUFFJDYSLPPY-UHFFFAOYSA-N
XLogP3.69
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]pyridine-2-carbonitrile
CID 18440104
4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-3-methylbenzonitrile
CID 18440063
2-[2-chloro-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-6-isocyanobenzonitrile
CID 58820023
3-methyl-5-[2-methyl-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzonitrile
CID 142944613
6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile
CID 64587971
3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one
CID 18440207
3-[(3-butoxy-4-chlorophenyl)methyl]-1H-pyridazin-6-one
CID 18440182
3-[(4-chloro-3-pentan-3-yloxyphenyl)methyl]-1H-pyridazin-6-one
CID 18440206
3-[2-ethyl-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-5-methylbenzonitrile
CID 58820126
6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile
CID 86814381
3-(2,6-dichloro-4-methylphenoxy)-1H-pyridazin-6-one
CID 118243200
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile?
The IUPAC name of 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile (CID 18440102) is 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)nc(Oc2cc(Cc3n[nH]c(=O)cc3C)ccc2Cl)c1.
What is the InChIKey of 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile?
The InChIKey is VNFUFFJDYSLPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-5-14(10-21)22-19(6-11)26-17-9-13(3-4-15(17)20)8-16-12(2)7-18(25)24-23-16/h3-7,9H,8H2,1-2H3,(H,24,25).
What are the key properties of 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile?
6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile has a molecular weight of 366.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-[(4-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 18440102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).