2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane

C29H28Cl6F2IN7Sn — CID 159121792

IUPAC2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane
SMILESC.C[Sn](C)(C)c1cc(Cl)ncc1Cl.Clc1ccc(Cl)nc1.Nc1ncc(F)cc1-c1cc(Cl)ncc1Cl.Nc1ncc(F)cc1I
InChIInChI=1S/C10H6Cl2FN3.C5H3Cl2N.C5H2Cl2N.C5H4FIN2.CH4.3CH3.Sn/c11-8-4-15-9(12)2-6(8)7-1-5(13)3-16-10(7)14;2*6-4-1-2-5(7)8-3-4;6-3-1-4(7)5(8)9-2-3;;;;;/h1-4H,(H2,14,16);1-3H;2-3H;1-2H,(H2,8,9);1H4;3*1H3;
InChIKeyKFTZVFQTPULRPH-UHFFFAOYSA-N
MW970.92 g/mol
LogP10.54
Rot. Bonds2

About 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane

2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane (PubChem CID 159121792) has the molecular formula C29H28Cl6F2IN7Sn and a molecular weight of 970.92 g/mol. Its IUPAC name is 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane.

Molecular Properties

Compound Name2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane
PubChem CID159121792
Molecular FormulaC29H28Cl6F2IN7Sn
Molecular Weight970.92 g/mol
Exact Mass968.86
IUPAC Name2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane
SMILESC.C[Sn](C)(C)c1cc(Cl)ncc1Cl.Clc1ccc(Cl)nc1.Nc1ncc(F)cc1-c1cc(Cl)ncc1Cl.Nc1ncc(F)cc1I
InChIInChI=1S/C10H6Cl2FN3.C5H3Cl2N.C5H2Cl2N.C5H4FIN2.CH4.3CH3.Sn/c11-8-4-15-9(12)2-6(8)7-1-5(13)3-16-10(7)14;2*6-4-1-2-5(7)8-3-4;6-3-1-4(7)5(8)9-2-3;;;;;/h1-4H,(H2,14,16);1-3H;2-3H;1-2H,(H2,8,9);1H4;3*1H3;
InChIKeyKFTZVFQTPULRPH-UHFFFAOYSA-N
XLogP10.54
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.92
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane with MolForge

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Launch Full Analysis

Related Compounds

1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(5-pyridin-4-yl-2-pyridinyl)piperazine
CID 126470786
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(5-pyridin-3-yl-2-pyridinyl)piperazine
CID 126471147
5'-Chloro-5''-fluoro-3,2':4',3''-terpyridin-2''-amine
CID 66696951
3-Chloro-5-(3-fluoropyridin-4-yl)-6-[5-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine
CID 122508217
3-Chloro-5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-3-pyridinyl)pyridin-2-amine
CID 122508222
3-Chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine
CID 122508225
3-Chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
CID 122508251
3-Chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-4-ylpyridin-2-amine
CID 122508264
3-Chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine
CID 122508278
4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 129033326
6-[1-(3-Chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine
CID 146614851
4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 156395634

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane?
The IUPAC name of 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane (CID 159121792) is 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane.
What is the SMILES notation for 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane?
The canonical SMILES for 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane is C.C[Sn](C)(C)c1cc(Cl)ncc1Cl.Clc1ccc(Cl)nc1.Nc1ncc(F)cc1-c1cc(Cl)ncc1Cl.Nc1ncc(F)cc1I.
What is the InChIKey of 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane?
The InChIKey is KFTZVFQTPULRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3.C5H3Cl2N.C5H2Cl2N.C5H4FIN2.CH4.3CH3.Sn/c11-8-4-15-9(12)2-6(8)7-1-5(13)3-16-10(7)14;2*6-4-1-2-5(7)8-3-4;6-3-1-4(7)5(8)9-2-3;;;;;/h1-4H,(H2,14,16);1-3H;2-3H;1-2H,(H2,8,9);1H4;3*1H3;.
What are the key properties of 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane?
2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane has a molecular weight of 970.92 g/mol, XLogP of 10.54, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane is sourced from PubChem (CID 159121792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).