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

C6H7Cl3N2 — CID 118607245

IUPAC(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)ncc1Cl
InChIInChI=1S/C6H6Cl2N2.ClH/c7-5-3-10-6(8)1-4(5)2-9;/h1,3H,2,9H2;1H
InChIKeyAFYVRJVEEDJTJS-UHFFFAOYSA-N
MW213.50 g/mol
LogP2.27
Rot. Bonds1

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

(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride (PubChem CID 118607245) has the molecular formula C6H7Cl3N2 and a molecular weight of 213.50 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
PubChem CID118607245
Molecular FormulaC6H7Cl3N2
Molecular Weight213.50 g/mol
Exact Mass211.97
IUPAC Name(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)ncc1Cl
InChIInChI=1S/C6H6Cl2N2.ClH/c7-5-3-10-6(8)1-4(5)2-9;/h1,3H,2,9H2;1H
InChIKeyAFYVRJVEEDJTJS-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 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 ≤ 52.27
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;dihydrochloride
CID 155978043
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;hydrochloride?
The IUPAC name of (2,5-dichloro-4-pyridinyl)methanamine;hydrochloride (CID 118607245) is (2,5-dichloro-4-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)methanamine;hydrochloride is Cl.NCc1cc(Cl)ncc1Cl.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)methanamine;hydrochloride?
The InChIKey is AFYVRJVEEDJTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2.ClH/c7-5-3-10-6(8)1-4(5)2-9;/h1,3H,2,9H2;1H.
What are the key properties of (2,5-dichloro-4-pyridinyl)methanamine;hydrochloride?
(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride has a molecular weight of 213.50 g/mol, XLogP of 2.27, 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;hydrochloride is sourced from PubChem (CID 118607245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).