3-chloro-2-N-methylpyridine-2,5-diamine

C6H8ClN3 — CID 23112230

IUPAC3-chloro-2-N-methylpyridine-2,5-diamine
SMILESCNc1ncc(N)cc1Cl
InChIInChI=1S/C6H8ClN3/c1-9-6-5(7)2-4(8)3-10-6/h2-3H,8H2,1H3,(H,9,10)
InChIKeyBHJNNOVZXUAUBO-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.36
Rot. Bonds1

About 3-chloro-2-N-methylpyridine-2,5-diamine

3-chloro-2-N-methylpyridine-2,5-diamine (PubChem CID 23112230) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-chloro-2-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-methylpyridine-2,5-diamine
PubChem CID23112230
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name3-chloro-2-N-methylpyridine-2,5-diamine
SMILESCNc1ncc(N)cc1Cl
InChIInChI=1S/C6H8ClN3/c1-9-6-5(7)2-4(8)3-10-6/h2-3H,8H2,1H3,(H,9,10)
InChIKeyBHJNNOVZXUAUBO-UHFFFAOYSA-N
XLogP1.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-methylpyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-methylpyridine-2,5-diamine (CID 23112230) is 3-chloro-2-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-methylpyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-methylpyridine-2,5-diamine is CNc1ncc(N)cc1Cl.
What is the InChIKey of 3-chloro-2-N-methylpyridine-2,5-diamine?
The InChIKey is BHJNNOVZXUAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-9-6-5(7)2-4(8)3-10-6/h2-3H,8H2,1H3,(H,9,10).
What are the key properties of 3-chloro-2-N-methylpyridine-2,5-diamine?
3-chloro-2-N-methylpyridine-2,5-diamine has a molecular weight of 157.60 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 23112230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).