(5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride

C7H10Cl2N2O — CID 119057011

IUPAC(5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride
SMILESCOc1ncc(CN)cc1Cl.Cl
InChIInChI=1S/C7H9ClN2O.ClH/c1-11-7-6(8)2-5(3-9)4-10-7;/h2,4H,3,9H2,1H3;1H
InChIKeyMPTOUTBPUYPXCU-UHFFFAOYSA-N
MW209.08 g/mol
LogP1.62
Rot. Bonds2

About (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride

(5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride (PubChem CID 119057011) has the molecular formula C7H10Cl2N2O and a molecular weight of 209.08 g/mol. Its IUPAC name is (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride
PubChem CID119057011
Molecular FormulaC7H10Cl2N2O
Molecular Weight209.08 g/mol
Exact Mass208.02
IUPAC Name(5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride
SMILESCOc1ncc(CN)cc1Cl.Cl
InChIInChI=1S/C7H9ClN2O.ClH/c1-11-7-6(8)2-5(3-9)4-10-7;/h2,4H,3,9H2,1H3;1H
InChIKeyMPTOUTBPUYPXCU-UHFFFAOYSA-N
XLogP1.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride (CID 119057011) is (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride is COc1ncc(CN)cc1Cl.Cl.
What is the InChIKey of (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride?
The InChIKey is MPTOUTBPUYPXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O.ClH/c1-11-7-6(8)2-5(3-9)4-10-7;/h2,4H,3,9H2,1H3;1H.
What are the key properties of (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride?
(5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride has a molecular weight of 209.08 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methoxy-3-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 119057011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).