4-chloro-3-N,6-dimethylpyridine-2,3-diamine

C7H10ClN3 — CID 145443788

IUPAC4-chloro-3-N,6-dimethylpyridine-2,3-diamine
SMILESCNc1c(Cl)cc(C)nc1N
InChIInChI=1S/C7H10ClN3/c1-4-3-5(8)6(10-2)7(9)11-4/h3,10H,1-2H3,(H2,9,11)
InChIKeyNJTFHYJNZBSJMJ-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.67
Rot. Bonds1

About 4-chloro-3-N,6-dimethylpyridine-2,3-diamine

4-chloro-3-N,6-dimethylpyridine-2,3-diamine (PubChem CID 145443788) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-3-N,6-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name4-chloro-3-N,6-dimethylpyridine-2,3-diamine
PubChem CID145443788
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name4-chloro-3-N,6-dimethylpyridine-2,3-diamine
SMILESCNc1c(Cl)cc(C)nc1N
InChIInChI=1S/C7H10ClN3/c1-4-3-5(8)6(10-2)7(9)11-4/h3,10H,1-2H3,(H2,9,11)
InChIKeyNJTFHYJNZBSJMJ-UHFFFAOYSA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-N,6-dimethylpyridine-2,3-diamine?
The IUPAC name of 4-chloro-3-N,6-dimethylpyridine-2,3-diamine (CID 145443788) is 4-chloro-3-N,6-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 4-chloro-3-N,6-dimethylpyridine-2,3-diamine?
The canonical SMILES for 4-chloro-3-N,6-dimethylpyridine-2,3-diamine is CNc1c(Cl)cc(C)nc1N.
What is the InChIKey of 4-chloro-3-N,6-dimethylpyridine-2,3-diamine?
The InChIKey is NJTFHYJNZBSJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-4-3-5(8)6(10-2)7(9)11-4/h3,10H,1-2H3,(H2,9,11).
What are the key properties of 4-chloro-3-N,6-dimethylpyridine-2,3-diamine?
4-chloro-3-N,6-dimethylpyridine-2,3-diamine has a molecular weight of 171.63 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-N,6-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 145443788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).