3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride

C11H11Cl3N2O — CID 45075256

IUPAC3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C11H9ClN2O.2ClH/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9;;/h1-7H,13H2;2*1H
InChIKeyPXLPMQXOMKOALT-UHFFFAOYSA-N
MW293.58 g/mol
LogP3.95
Rot. Bonds2

About 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride

3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride (PubChem CID 45075256) has the molecular formula C11H11Cl3N2O and a molecular weight of 293.58 g/mol. Its IUPAC name is 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride.

Molecular Properties

Compound Name3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
PubChem CID45075256
Molecular FormulaC11H11Cl3N2O
Molecular Weight293.58 g/mol
Exact Mass291.99
IUPAC Name3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C11H9ClN2O.2ClH/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9;;/h1-7H,13H2;2*1H
InChIKeyPXLPMQXOMKOALT-UHFFFAOYSA-N
XLogP3.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
CID 62912252
calcium;3-(4-amino-2-chlorophenoxy)benzonitrile;dichloride
CID 172810824
5-bromo-2-pyridin-3-yloxyaniline
CID 26190498
4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
CID 21391500

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride?
The IUPAC name of 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride (CID 45075256) is 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride.
What is the SMILES notation for 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride?
The canonical SMILES for 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride is Cl.Cl.Nc1ccc(Oc2cccnc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride?
The InChIKey is PXLPMQXOMKOALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O.2ClH/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9;;/h1-7H,13H2;2*1H.
What are the key properties of 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride?
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride has a molecular weight of 293.58 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride is sourced from PubChem (CID 45075256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).