2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline

C11H8Cl2N2O — CID 22148760

IUPAC2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2cncc(Cl)c2)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-3-9(6-15-5-7)16-8-1-2-11(14)10(13)4-8/h1-6H,14H2
InChIKeyPFBVUADQDJPRDM-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline

2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline (PubChem CID 22148760) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
PubChem CID22148760
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2cncc(Cl)c2)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-3-9(6-15-5-7)16-8-1-2-11(14)10(13)4-8/h1-6H,14H2
InChIKeyPFBVUADQDJPRDM-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.76
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

4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542
4-(4-amino-3-chlorophenoxy)pyridin-2-amine
CID 22936798
4-[4-[4-(4-amino-3-chlorophenoxy)phenyl]sulfanylphenoxy]-2-chloroaniline
CID 139713062
2-chloro-4-naphthalen-2-yloxyaniline
CID 175197159
6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 64602505
6-[(5-chloro-3-pyridinyl)oxy]-2-methoxypyridin-3-amine
CID 64602121
1-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 114069448
3-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carbonitrile
CID 103469729
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline?
The IUPAC name of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline (CID 22148760) is 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline.
What is the SMILES notation for 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline?
The canonical SMILES for 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline is Nc1ccc(Oc2cncc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline?
The InChIKey is PFBVUADQDJPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-7-3-9(6-15-5-7)16-8-1-2-11(14)10(13)4-8/h1-6H,14H2.
What are the key properties of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline?
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline has a molecular weight of 255.10 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline is sourced from PubChem (CID 22148760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).