3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine

C11H8Cl3N3 — CID 114046251

IUPAC3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c12-7-2-1-3-8(13)10(7)17-11-9(14)4-6(15)5-16-11/h1-5H,15H2,(H,16,17)
InChIKeyTYSHRSWCBVHKGE-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.37
Rot. Bonds2

About 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine

3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine (PubChem CID 114046251) has the molecular formula C11H8Cl3N3 and a molecular weight of 288.56 g/mol. Its IUPAC name is 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine
PubChem CID114046251
Molecular FormulaC11H8Cl3N3
Molecular Weight288.56 g/mol
Exact Mass286.98
IUPAC Name3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c12-7-2-1-3-8(13)10(7)17-11-9(14)4-6(15)5-16-11/h1-5H,15H2,(H,16,17)
InChIKeyTYSHRSWCBVHKGE-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
CID 82490180
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
CID 79918000
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
3-chloro-2-N-methylpyridine-2,5-diamine
CID 23112230
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049862
3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
CID 114262554

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine (CID 114046251) is 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine is Nc1cnc(Nc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine?
The InChIKey is TYSHRSWCBVHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3/c12-7-2-1-3-8(13)10(7)17-11-9(14)4-6(15)5-16-11/h1-5H,15H2,(H,16,17).
What are the key properties of 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine?
3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine has a molecular weight of 288.56 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 114046251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).