[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine

C16H20ClN3O — CID 105314840

IUPAC[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
SMILESCc1cccc(OCCC(Cc2ccncc2Cl)NN)c1
InChIInChI=1S/C16H20ClN3O/c1-12-3-2-4-15(9-12)21-8-6-14(20-18)10-13-5-7-19-11-16(13)17/h2-5,7,9,11,14,20H,6,8,10,18H2,1H3
InChIKeySJVYEZOMUDZQRB-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.89
Rot. Bonds7

About [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine

[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine (PubChem CID 105314840) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
PubChem CID105314840
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
SMILESCc1cccc(OCCC(Cc2ccncc2Cl)NN)c1
InChIInChI=1S/C16H20ClN3O/c1-12-3-2-4-15(9-12)21-8-6-14(20-18)10-13-5-7-19-11-16(13)17/h2-5,7,9,11,14,20H,6,8,10,18H2,1H3
InChIKeySJVYEZOMUDZQRB-UHFFFAOYSA-N
XLogP2.89
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
[4-(3-methylphenoxy)-1-phenylbutan-2-yl]hydrazine
CID 105283208
[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105321937
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
[1-(3-chloro-4-pyridinyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212419
1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine
CID 105281608
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105205014
[1-(3-chloro-4-pyridinyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205447
[5-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105298656
[1-(2-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440
[1-(3-chloro-4-pyridinyl)-5-phenylpentan-2-yl]hydrazine
CID 105314808

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine (CID 105314840) is [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine is Cc1cccc(OCCC(Cc2ccncc2Cl)NN)c1.
What is the InChIKey of [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
The InChIKey is SJVYEZOMUDZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12-3-2-4-15(9-12)21-8-6-14(20-18)10-13-5-7-19-11-16(13)17/h2-5,7,9,11,14,20H,6,8,10,18H2,1H3.
What are the key properties of [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine has a molecular weight of 305.81 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 105314840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).