4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane

C61H57Cl4F8IN10Sn — CID 159902094

IUPAC4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)cncc1F.Fc1cncc(F)c1.Fc1cncc2[nH]c3ccc(Cl)cc3c12.Nc1cc(Cl)cc2c1[nH]c1cncc(F)c12.Nc1ccc(Cl)cc1-c1c(F)cncc1F.Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H7ClF2N2.C11H7ClFN3.C11H6ClFN2.C6H5ClIN.C5H3F2N.C5H2F2N.3C4H9.Sn/c12-6-1-2-10(15)7(3-6)11-8(13)4-16-5-9(11)14;12-5-1-6-10-7(13)3-15-4-9(10)16-11(6)8(14)2-5;12-6-1-2-9-7(3-6)11-8(13)4-14-5-10(11)15-9;7-4-1-2-6(9)5(8)3-4;2*6-4-1-5(7)3-8-2-4;3*1-3-4-2;/h1-5H,15H2;1-4,16H,14H2;1-5,15H;1-3H,9H2;1-3H;2-3H;3*1,3-4H2,2H3;
InChIKeyNWCBWWURABIALJ-UHFFFAOYSA-N
MW1469.61 g/mol
LogP19.16
Rot. Bonds11

About 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane

4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane (PubChem CID 159902094) has the molecular formula C61H57Cl4F8IN10Sn and a molecular weight of 1469.61 g/mol. Its IUPAC name is 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane.

Molecular Properties

Compound Name4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane
PubChem CID159902094
Molecular FormulaC61H57Cl4F8IN10Sn
Molecular Weight1469.61 g/mol
Exact Mass1468.15
IUPAC Name4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)cncc1F.Fc1cncc(F)c1.Fc1cncc2[nH]c3ccc(Cl)cc3c12.Nc1cc(Cl)cc2c1[nH]c1cncc(F)c12.Nc1ccc(Cl)cc1-c1c(F)cncc1F.Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H7ClF2N2.C11H7ClFN3.C11H6ClFN2.C6H5ClIN.C5H3F2N.C5H2F2N.3C4H9.Sn/c12-6-1-2-10(15)7(3-6)11-8(13)4-16-5-9(11)14;12-5-1-6-10-7(13)3-15-4-9(10)16-11(6)8(14)2-5;12-6-1-2-9-7(3-6)11-8(13)4-14-5-10(11)15-9;7-4-1-2-6(9)5(8)3-4;2*6-4-1-5(7)3-8-2-4;3*1-3-4-2;/h1-5H,15H2;1-4,16H,14H2;1-5,15H;1-3H,9H2;1-3H;2-3H;3*1,3-4H2,2H3;
InChIKeyNWCBWWURABIALJ-UHFFFAOYSA-N
XLogP19.16
TPSA174.09 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001469.61
LogP ≤ 519.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane with MolForge

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Related Compounds

6-chloro-2-[[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578518
6-chloro-2-[[3-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578520
6-chloro-2-[[4-[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578522
6-chloro-2-[[4-[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium
CID 44578523
6-chloro-2-[10-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)decyl]-9H-pyrido[3,4-b]indol-2-ium
CID 44578553
6-chloro-2-[12-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)dodecyl]-9H-pyrido[3,4-b]indol-2-ium
CID 44578555
6-chloro-2-[10-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)decyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 171358016
6-chloro-2-[12-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)dodecyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 171358900
5-chloro-1-(1H-indol-7-yl)-2-phenylpiperidin-4-amine;5-chloro-2-phenyl-1H-indol-7-amine
CID 68799190
2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane
CID 144941292
7-chloro-5-(1-methylindol-6-yl)quinoxaline;8-(1-methylindol-6-yl)-N-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-pyridin-3-ylquinoxalin-6-amine
CID 157065463
5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline
CID 159027642

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane?
The IUPAC name of 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane (CID 159902094) is 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane.
What is the SMILES notation for 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane?
The canonical SMILES for 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane is CCCC[Sn](CCCC)(CCCC)c1c(F)cncc1F.Fc1cncc(F)c1.Fc1cncc2[nH]c3ccc(Cl)cc3c12.Nc1cc(Cl)cc2c1[nH]c1cncc(F)c12.Nc1ccc(Cl)cc1-c1c(F)cncc1F.Nc1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane?
The InChIKey is NWCBWWURABIALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2.C11H7ClFN3.C11H6ClFN2.C6H5ClIN.C5H3F2N.C5H2F2N.3C4H9.Sn/c12-6-1-2-10(15)7(3-6)11-8(13)4-16-5-9(11)14;12-5-1-6-10-7(13)3-15-4-9(10)16-11(6)8(14)2-5;12-6-1-2-9-7(3-6)11-8(13)4-14-5-10(11)15-9;7-4-1-2-6(9)5(8)3-4;2*6-4-1-5(7)3-8-2-4;3*1-3-4-2;/h1-5H,15H2;1-4,16H,14H2;1-5,15H;1-3H,9H2;1-3H;2-3H;3*1,3-4H2,2H3;.
What are the key properties of 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane?
4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane has a molecular weight of 1469.61 g/mol, XLogP of 19.16, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-difluoro-4-pyridinyl)aniline;6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine;6-chloro-4-fluoro-9H-pyrido[3,4-b]indole;4-chloro-2-iodoaniline;3,5-difluoropyridine;tributyl-(3,5-difluoro-4-pyridinyl)stannane is sourced from PubChem (CID 159902094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).