1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine

C14H16ClN3O — CID 86201784

IUPAC1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine
SMILESCOc1ccc(Cl)cc1CCNNc1ccncc1
InChIInChI=1S/C14H16ClN3O/c1-19-14-3-2-12(15)10-11(14)4-9-17-18-13-5-7-16-8-6-13/h2-3,5-8,10,17H,4,9H2,1H3,(H,16,18)
InChIKeyPRRGSXFUNVXYCO-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.90
Rot. Bonds6

About 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine

1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine (PubChem CID 86201784) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine
PubChem CID86201784
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine
SMILESCOc1ccc(Cl)cc1CCNNc1ccncc1
InChIInChI=1S/C14H16ClN3O/c1-19-14-3-2-12(15)10-11(14)4-9-17-18-13-5-7-16-8-6-13/h2-3,5-8,10,17H,4,9H2,1H3,(H,16,18)
InChIKeyPRRGSXFUNVXYCO-UHFFFAOYSA-N
XLogP2.90
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 115215017
2-[2-(5-chloro-2-methoxyphenyl)ethylamino]ethanethiol
CID 115224188
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
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CID 110787710
1-N-[2-(5-chloro-2-methoxyphenyl)ethyl]butane-1,3-diamine
CID 115199496
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine
CID 95447663
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine?
The IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine (CID 86201784) is 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine?
The canonical SMILES for 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine is COc1ccc(Cl)cc1CCNNc1ccncc1.
What is the InChIKey of 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine?
The InChIKey is PRRGSXFUNVXYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-14-3-2-12(15)10-11(14)4-9-17-18-13-5-7-16-8-6-13/h2-3,5-8,10,17H,4,9H2,1H3,(H,16,18).
What are the key properties of 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine?
1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine has a molecular weight of 277.75 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine is sourced from PubChem (CID 86201784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).