6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine

C7H12ClN3 — CID 142795951

IUPAC6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine
SMILESCC1=C(N)C(C)(N)NC(Cl)=C1
InChIInChI=1S/C7H12ClN3/c1-4-3-5(8)11-7(2,10)6(4)9/h3,11H,9-10H2,1-2H3
InChIKeyGYVFIOBWBWPEPJ-UHFFFAOYSA-N
MW173.65 g/mol
LogP0.58
Rot. Bonds

About 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine

6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine (PubChem CID 142795951) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine
PubChem CID142795951
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine
SMILESCC1=C(N)C(C)(N)NC(Cl)=C1
InChIInChI=1S/C7H12ClN3/c1-4-3-5(8)11-7(2,10)6(4)9/h3,11H,9-10H2,1-2H3
InChIKeyGYVFIOBWBWPEPJ-UHFFFAOYSA-N
XLogP0.58
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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2,5,6,6-tetramethyl-1H-pyridin-3-amine
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3,3,4,4-tetrachlorocyclobutene-1,2-diamine
CID 177307720
(5S)-5-amino-5-methylpyrrolidin-2-one;hydrochloride
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1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
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1-(4-amino-2-chlorophenyl)-5,5-dimethylimidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine (CID 142795951) is 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine is CC1=C(N)C(C)(N)NC(Cl)=C1.
What is the InChIKey of 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine?
The InChIKey is GYVFIOBWBWPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-4-3-5(8)11-7(2,10)6(4)9/h3,11H,9-10H2,1-2H3.
What are the key properties of 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine?
6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine has a molecular weight of 173.65 g/mol, XLogP of 0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-1H-pyridine-2,3-diamine is sourced from PubChem (CID 142795951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).