3,5-dichloro-N-methylpyridin-2-amine;hydrochloride

C6H7Cl3N2 — CID 159350440

IUPAC3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
SMILESCNc1ncc(Cl)cc1Cl.Cl
InChIInChI=1S/C6H6Cl2N2.ClH/c1-9-6-5(8)2-4(7)3-10-6;/h2-3H,1H3,(H,9,10);1H
InChIKeyLHGKISUHTFWYCD-UHFFFAOYSA-N
MW213.50 g/mol
LogP2.85
Rot. Bonds1

About 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride

3,5-dichloro-N-methylpyridin-2-amine;hydrochloride (PubChem CID 159350440) has the molecular formula C6H7Cl3N2 and a molecular weight of 213.50 g/mol. Its IUPAC name is 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
PubChem CID159350440
Molecular FormulaC6H7Cl3N2
Molecular Weight213.50 g/mol
Exact Mass211.97
IUPAC Name3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
SMILESCNc1ncc(Cl)cc1Cl.Cl
InChIInChI=1S/C6H6Cl2N2.ClH/c1-9-6-5(8)2-4(7)3-10-6;/h2-3H,1H3,(H,9,10);1H
InChIKeyLHGKISUHTFWYCD-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride?
The IUPAC name of 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride (CID 159350440) is 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride is CNc1ncc(Cl)cc1Cl.Cl.
What is the InChIKey of 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride?
The InChIKey is LHGKISUHTFWYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2.ClH/c1-9-6-5(8)2-4(7)3-10-6;/h2-3H,1H3,(H,9,10);1H.
What are the key properties of 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride?
3,5-dichloro-N-methylpyridin-2-amine;hydrochloride has a molecular weight of 213.50 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 159350440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).