(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone

C13H10Cl2N2O2 — CID 116609838

IUPAC(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-9-2-8(5-17-6-9)13(18)7-3-10(14)12(16)11(15)4-7/h2-6H,16H2,1H3
InChIKeyGHDTUBPPSRAJRP-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.21
Rot. Bonds3

About (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone

(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 116609838) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID116609838
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-9-2-8(5-17-6-9)13(18)7-3-10(14)12(16)11(15)4-7/h2-6H,16H2,1H3
InChIKeyGHDTUBPPSRAJRP-UHFFFAOYSA-N
XLogP3.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116581855
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
CID 115793344
(5-methoxy-3-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 115793456
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116609756

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone (CID 116609838) is (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone is COc1cncc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is GHDTUBPPSRAJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-9-2-8(5-17-6-9)13(18)7-3-10(14)12(16)11(15)4-7/h2-6H,16H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 297.14 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116609838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).