3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane

C29H41Cl2IN6O3Sn — CID 158675871

IUPAC3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane
SMILESC.C.COc1cc(-c2c(OC)ccnc2N)c(Cl)cn1.COc1ccnc(N)c1I.Cc1cc([Sn](C)(C)C)c(Cl)cn1
InChIInChI=1S/C12H12ClN3O2.C6H5ClN.C6H7IN2O.2CH4.3CH3.Sn/c1-17-9-3-4-15-12(14)11(9)7-5-10(18-2)16-6-8(7)13;1-5-2-3-6(7)4-8-5;1-10-4-2-3-9-6(8)5(4)7;;;;;;/h3-6H,1-2H3,(H2,14,15);2,4H,1H3;2-3H,1H3,(H2,8,9);2*1H4;3*1H3;
InChIKeyIEMYRQPJWMJCLV-UHFFFAOYSA-N
MW838.21 g/mol
LogP7.53
Rot. Bonds5

About 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane

3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane (PubChem CID 158675871) has the molecular formula C29H41Cl2IN6O3Sn and a molecular weight of 838.21 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane
PubChem CID158675871
Molecular FormulaC29H41Cl2IN6O3Sn
Molecular Weight838.21 g/mol
Exact Mass838.07
IUPAC Name3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane
SMILESC.C.COc1cc(-c2c(OC)ccnc2N)c(Cl)cn1.COc1ccnc(N)c1I.Cc1cc([Sn](C)(C)C)c(Cl)cn1
InChIInChI=1S/C12H12ClN3O2.C6H5ClN.C6H7IN2O.2CH4.3CH3.Sn/c1-17-9-3-4-15-12(14)11(9)7-5-10(18-2)16-6-8(7)13;1-5-2-3-6(7)4-8-5;1-10-4-2-3-9-6(8)5(4)7;;;;;;/h3-6H,1-2H3,(H2,14,15);2,4H,1H3;2-3H,1H3,(H2,8,9);2*1H4;3*1H3;
InChIKeyIEMYRQPJWMJCLV-UHFFFAOYSA-N
XLogP7.53
TPSA131.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.21
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane
CID 58354569
5-chloro-2-methoxypyridine;(5-chloro-2-methoxy-4-pyridinyl)-trimethylstannane;methane
CID 162154814
5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 175726727
3-(5-chloro-2-methyl-4-pyridinyl)pyridin-2-amine
CID 143908292
3-(4-aminophenyl)-4-methoxypyridin-2-amine
CID 86700075
7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine
CID 67616000
4-(3-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
CID 175182286
2-amino-4-methoxypyridin-3-ol
CID 22175065
4-chloro-5-iodo-2-methoxypyridine
CID 58204595
8-(2-chloro-6-methoxyphenyl)-2-methoxy-1,5-naphthyridine
CID 86291571
5-methoxy-2-methylpyridin-4-amine
CID 59938080
3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine
CID 79700423

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane?
The IUPAC name of 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane (CID 158675871) is 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane.
What is the SMILES notation for 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane?
The canonical SMILES for 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane is C.C.COc1cc(-c2c(OC)ccnc2N)c(Cl)cn1.COc1ccnc(N)c1I.Cc1cc([Sn](C)(C)C)c(Cl)cn1.
What is the InChIKey of 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane?
The InChIKey is IEMYRQPJWMJCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2.C6H5ClN.C6H7IN2O.2CH4.3CH3.Sn/c1-17-9-3-4-15-12(14)11(9)7-5-10(18-2)16-6-8(7)13;1-5-2-3-6(7)4-8-5;1-10-4-2-3-9-6(8)5(4)7;;;;;;/h3-6H,1-2H3,(H2,14,15);2,4H,1H3;2-3H,1H3,(H2,8,9);2*1H4;3*1H3;.
What are the key properties of 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane?
3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane has a molecular weight of 838.21 g/mol, XLogP of 7.53, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-4-pyridinyl)-4-methoxypyridin-2-amine;(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane;3-iodo-4-methoxypyridin-2-amine;methane is sourced from PubChem (CID 158675871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).