3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

C12H10ClN5O2 — CID 103568494

IUPAC3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C12H10ClN5O2/c1-19-8-2-7(5-14)3-9(4-8)20-11-10(13)6-16-12(17-11)18-15/h2-4,6H,15H2,1H3,(H,16,17,18)
InChIKeySAFXHUFFHLOHHD-UHFFFAOYSA-N
MW291.70 g/mol
LogP2.09
Rot. Bonds4

About 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (PubChem CID 103568494) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
PubChem CID103568494
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC Name3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C12H10ClN5O2/c1-19-8-2-7(5-14)3-9(4-8)20-11-10(13)6-16-12(17-11)18-15/h2-4,6H,15H2,1H3,(H,16,17,18)
InChIKeySAFXHUFFHLOHHD-UHFFFAOYSA-N
XLogP2.09
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
3-methoxy-5-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 103566717
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80917818
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
CID 80917000
3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103568115

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The IUPAC name of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (CID 103568494) is 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.
What is the SMILES notation for 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The canonical SMILES for 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is COc1cc(C#N)cc(Oc2nc(NN)ncc2Cl)c1.
What is the InChIKey of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The InChIKey is SAFXHUFFHLOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c1-19-8-2-7(5-14)3-9(4-8)20-11-10(13)6-16-12(17-11)18-15/h2-4,6H,15H2,1H3,(H,16,17,18).
What are the key properties of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile has a molecular weight of 291.70 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is sourced from PubChem (CID 103568494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).