(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone

C13H11ClN2O2 — CID 116581855

IUPAC(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C13H11ClN2O2/c1-18-10-4-9(6-16-7-10)13(17)8-2-3-12(15)11(14)5-8/h2-7H,15H2,1H3
InChIKeyUZTUTTPSFCUYDL-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.56
Rot. Bonds3

About (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone

(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 116581855) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID116581855
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C13H11ClN2O2/c1-18-10-4-9(6-16-7-10)13(17)8-2-3-12(15)11(14)5-8/h2-7H,15H2,1H3
InChIKeyUZTUTTPSFCUYDL-UHFFFAOYSA-N
XLogP2.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.56
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-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(5-methoxy-3-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 115793456
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
(4-amino-3-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669775
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone (CID 116581855) is (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone is COc1cncc(C(=O)c2ccc(N)c(Cl)c2)c1.
What is the InChIKey of (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is UZTUTTPSFCUYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-10-4-9(6-16-7-10)13(17)8-2-3-12(15)11(14)5-8/h2-7H,15H2,1H3.
What are the key properties of (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone?
(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 262.70 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116581855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).