N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline

C12H11ClN2O — CID 141149124

IUPACN-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2ccc(NCl)cc2)cn1
InChIInChI=1S/C12H11ClN2O/c1-9-2-5-12(8-14-9)16-11-6-3-10(15-13)4-7-11/h2-8,15H,1H3
InChIKeyFUNORCAZTJGXSR-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.75
Rot. Bonds3

About N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline

N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline (PubChem CID 141149124) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline.

Molecular Properties

Compound NameN-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline
PubChem CID141149124
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC NameN-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2ccc(NCl)cc2)cn1
InChIInChI=1S/C12H11ClN2O/c1-9-2-5-12(8-14-9)16-11-6-3-10(15-13)4-7-11/h2-8,15H,1H3
InChIKeyFUNORCAZTJGXSR-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031360
(6-methyl-3-pyridinyl) hypochlorite
CID 164916594
(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 63369986
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
2-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 55239141
5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 66321198
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62058841
4-chloro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55092712
1-[(4-chlorophenyl)methyl]-6-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-3-(2-oxobutyl)-1,3,5-triazine-2,4-dione
CID 159389633
4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 62481107

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
The IUPAC name of N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline (CID 141149124) is N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline.
What is the SMILES notation for N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
The canonical SMILES for N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline is Cc1ccc(Oc2ccc(NCl)cc2)cn1.
What is the InChIKey of N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
The InChIKey is FUNORCAZTJGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-2-5-12(8-14-9)16-11-6-3-10(15-13)4-7-11/h2-8,15H,1H3.
What are the key properties of N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline has a molecular weight of 234.69 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline is sourced from PubChem (CID 141149124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).