6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine

C11H11ClN4 — CID 104923669

IUPAC6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCc2ccccn2)c1
InChIInChI=1S/C11H11ClN4/c12-10-5-8(13)6-11(16-10)15-7-9-3-1-2-4-14-9/h1-6H,7H2,(H3,13,15,16)
InChIKeyJLQUNXCJLVEPQU-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.32
Rot. Bonds3

About 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine

6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine (PubChem CID 104923669) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
PubChem CID104923669
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCc2ccccn2)c1
InChIInChI=1S/C11H11ClN4/c12-10-5-8(13)6-11(16-10)15-7-9-3-1-2-4-14-9/h1-6H,7H2,(H3,13,15,16)
InChIKeyJLQUNXCJLVEPQU-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 43343491
6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82463221
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777882
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80777060
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
2-N-(pyridin-2-ylmethyl)pyrazine-2,5-diamine
CID 80652586
2-(difluoromethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
CID 63750057
2-benzylsulfanyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 72908843
4-N-(2,6-dichlorophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873352

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine (CID 104923669) is 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine is Nc1cc(Cl)nc(NCc2ccccn2)c1.
What is the InChIKey of 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine?
The InChIKey is JLQUNXCJLVEPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-10-5-8(13)6-11(16-10)15-7-9-3-1-2-4-14-9/h1-6H,7H2,(H3,13,15,16).
What are the key properties of 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine?
6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 104923669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).