5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine

C13H12Cl3N3 — CID 81492008

IUPAC5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1cc(Cl)cnc1N
InChIInChI=1S/C13H12Cl3N3/c1-18-12(7-2-3-10(15)11(16)4-7)9-5-8(14)6-19-13(9)17/h2-6,12,18H,1H3,(H2,17,19)
InChIKeyVSBFQIRNPBYYEH-UHFFFAOYSA-N
MW316.62 g/mol
LogP3.93
Rot. Bonds3

About 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine

5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine (PubChem CID 81492008) has the molecular formula C13H12Cl3N3 and a molecular weight of 316.62 g/mol. Its IUPAC name is 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine
PubChem CID81492008
Molecular FormulaC13H12Cl3N3
Molecular Weight316.62 g/mol
Exact Mass315.01
IUPAC Name5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1cc(Cl)cnc1N
InChIInChI=1S/C13H12Cl3N3/c1-18-12(7-2-3-10(15)11(16)4-7)9-5-8(14)6-19-13(9)17/h2-6,12,18H,1H3,(H2,17,19)
InChIKeyVSBFQIRNPBYYEH-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
CID 105199320
3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine
CID 114894706
5-chloro-3-[hydrazinyl-(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 105258421
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
5-chloro-3-[(4-methylsulfanylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 106848461
5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine
CID 102951299
1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 103215149
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43480322
5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
CID 107922698
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine (CID 81492008) is 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine is CNC(c1ccc(Cl)c(Cl)c1)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine?
The InChIKey is VSBFQIRNPBYYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3/c1-18-12(7-2-3-10(15)11(16)4-7)9-5-8(14)6-19-13(9)17/h2-6,12,18H,1H3,(H2,17,19).
What are the key properties of 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine?
5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine has a molecular weight of 316.62 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 81492008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).