(3-chloro-2-pyridinyl)methanamine;hydrochloride

C6H8Cl2N2 — CID 86346205

IUPAC(3-chloro-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ncccc1Cl
InChIInChI=1S/C6H7ClN2.ClH/c7-5-2-1-3-9-6(5)4-8;/h1-3H,4,8H2;1H
InChIKeyDEPQAELCACZEMN-UHFFFAOYSA-N
MW179.05 g/mol
LogP1.62
Rot. Bonds1

About (3-chloro-2-pyridinyl)methanamine;hydrochloride

(3-chloro-2-pyridinyl)methanamine;hydrochloride (PubChem CID 86346205) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)methanamine;hydrochloride
PubChem CID86346205
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name(3-chloro-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ncccc1Cl
InChIInChI=1S/C6H7ClN2.ClH/c7-5-2-1-3-9-6(5)4-8;/h1-3H,4,8H2;1H
InChIKeyDEPQAELCACZEMN-UHFFFAOYSA-N
XLogP1.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (3-chloro-2-pyridinyl)methanamine;hydrochloride (CID 86346205) is (3-chloro-2-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (3-chloro-2-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (3-chloro-2-pyridinyl)methanamine;hydrochloride is Cl.NCc1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)methanamine;hydrochloride?
The InChIKey is DEPQAELCACZEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.ClH/c7-5-2-1-3-9-6(5)4-8;/h1-3H,4,8H2;1H.
What are the key properties of (3-chloro-2-pyridinyl)methanamine;hydrochloride?
(3-chloro-2-pyridinyl)methanamine;hydrochloride has a molecular weight of 179.05 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 86346205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).