N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline

C12H10Cl2N2O — CID 141410973

IUPACN,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline
SMILESCOc1ccc(-c2ccc(N(Cl)Cl)cc2)cn1
InChIInChI=1S/C12H10Cl2N2O/c1-17-12-7-4-10(8-15-12)9-2-5-11(6-3-9)16(13)14/h2-8H,1H3
InChIKeyMZZALHRUDHWLMP-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.87
Rot. Bonds3

About N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline

N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline (PubChem CID 141410973) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline.

Molecular Properties

Compound NameN,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline
PubChem CID141410973
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC NameN,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline
SMILESCOc1ccc(-c2ccc(N(Cl)Cl)cc2)cn1
InChIInChI=1S/C12H10Cl2N2O/c1-17-12-7-4-10(8-15-12)9-2-5-11(6-3-9)16(13)14/h2-8H,1H3
InChIKeyMZZALHRUDHWLMP-UHFFFAOYSA-N
XLogP3.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine
CID 121277753
4-chloro-5-(6-methoxy-3-pyridinyl)pyrimidine
CID 105371014
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine
CID 134854260
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
CID 146597513
3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 90390971
2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
CID 68886862

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
The IUPAC name of N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline (CID 141410973) is N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline.
What is the SMILES notation for N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
The canonical SMILES for N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline is COc1ccc(-c2ccc(N(Cl)Cl)cc2)cn1.
What is the InChIKey of N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
The InChIKey is MZZALHRUDHWLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-17-12-7-4-10(8-15-12)9-2-5-11(6-3-9)16(13)14/h2-8H,1H3.
What are the key properties of N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline has a molecular weight of 269.13 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline is sourced from PubChem (CID 141410973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).