3,5-dichloro-2H-pyridin-3-amine

C5H6Cl2N2 — CID 170843138

IUPAC3,5-dichloro-2H-pyridin-3-amine
SMILESNC1(Cl)C=C(Cl)C=NC1
InChIInChI=1S/C5H6Cl2N2/c6-4-1-5(7,8)3-9-2-4/h1-2H,3,8H2
InChIKeyPQHGDCBEWDFWCP-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.09
Rot. Bonds

About 3,5-dichloro-2H-pyridin-3-amine

3,5-dichloro-2H-pyridin-3-amine (PubChem CID 170843138) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 3,5-dichloro-2H-pyridin-3-amine.

Molecular Properties

Compound Name3,5-dichloro-2H-pyridin-3-amine
PubChem CID170843138
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name3,5-dichloro-2H-pyridin-3-amine
SMILESNC1(Cl)C=C(Cl)C=NC1
InChIInChI=1S/C5H6Cl2N2/c6-4-1-5(7,8)3-9-2-4/h1-2H,3,8H2
InChIKeyPQHGDCBEWDFWCP-UHFFFAOYSA-N
XLogP1.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-2H-pyridin-3-amine
CID 20063622
5-chloro-3-iodo-2H-pyridin-3-amine
CID 71059900
3-chloro-2H-pyridin-3-amine
CID 150182744
3-chloro-2H-pyridine-2,3-diamine
CID 150330273
3-bromo-5-chloro-2H-pyridin-3-amine
CID 172843988

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2H-pyridin-3-amine?
The IUPAC name of 3,5-dichloro-2H-pyridin-3-amine (CID 170843138) is 3,5-dichloro-2H-pyridin-3-amine.
What is the SMILES notation for 3,5-dichloro-2H-pyridin-3-amine?
The canonical SMILES for 3,5-dichloro-2H-pyridin-3-amine is NC1(Cl)C=C(Cl)C=NC1.
What is the InChIKey of 3,5-dichloro-2H-pyridin-3-amine?
The InChIKey is PQHGDCBEWDFWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c6-4-1-5(7,8)3-9-2-4/h1-2H,3,8H2.
What are the key properties of 3,5-dichloro-2H-pyridin-3-amine?
3,5-dichloro-2H-pyridin-3-amine has a molecular weight of 165.02 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2H-pyridin-3-amine is sourced from PubChem (CID 170843138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).