(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride

C6H8Cl4N2 — CID 155978043

IUPAC(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc(Cl)ncc1Cl
InChIInChI=1S/C6H6Cl2N2.2ClH/c7-5-3-10-6(8)1-4(5)2-9;;/h1,3H,2,9H2;2*1H
InChIKeyVMKDSNQACJLMLY-UHFFFAOYSA-N
MW249.96 g/mol
LogP2.69
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride

(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride (PubChem CID 155978043) has the molecular formula C6H8Cl4N2 and a molecular weight of 249.96 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride
PubChem CID155978043
Molecular FormulaC6H8Cl4N2
Molecular Weight249.96 g/mol
Exact Mass247.94
IUPAC Name(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc(Cl)ncc1Cl
InChIInChI=1S/C6H6Cl2N2.2ClH/c7-5-3-10-6(8)1-4(5)2-9;;/h1,3H,2,9H2;2*1H
InChIKeyVMKDSNQACJLMLY-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.96
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
CID 118607245
2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2,5-dichloropyridin-4-amine;hydrochloride
CID 134128726
[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095491
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925467
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
4-(aminomethyl)-5-chloro-N-cyclopropyl-N-methylpyridin-2-amine
CID 114925351
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
(2,5-dichloro-4-pyridinyl)methyl methanesulfonate
CID 134191892
[5-chloro-2-(cyclopentylmethoxy)-4-pyridinyl]methanamine
CID 114928866
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride (CID 155978043) is (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1cc(Cl)ncc1Cl.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride?
The InChIKey is VMKDSNQACJLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2.2ClH/c7-5-3-10-6(8)1-4(5)2-9;;/h1,3H,2,9H2;2*1H.
What are the key properties of (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride?
(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride has a molecular weight of 249.96 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 155978043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).