5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride

C12H14ClN3O — CID 122164027

IUPAC5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride
SMILESCOc1cccc(Nc2ccc(N)nc2)c1.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-16-11-4-2-3-9(7-11)15-10-5-6-12(13)14-8-10;/h2-8,15H,1H3,(H2,13,14);1H
InChIKeyMNTBZCMPEIEAEW-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.84
Rot. Bonds3

About 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride

5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride (PubChem CID 122164027) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride.

Molecular Properties

Compound Name5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride
PubChem CID122164027
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride
SMILESCOc1cccc(Nc2ccc(N)nc2)c1.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-16-11-4-2-3-9(7-11)15-10-5-6-12(13)14-8-10;/h2-8,15H,1H3,(H2,13,14);1H
InChIKeyMNTBZCMPEIEAEW-UHFFFAOYSA-N
XLogP2.84
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride?
The IUPAC name of 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride (CID 122164027) is 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride.
What is the SMILES notation for 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride?
The canonical SMILES for 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride is COc1cccc(Nc2ccc(N)nc2)c1.Cl.
What is the InChIKey of 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride?
The InChIKey is MNTBZCMPEIEAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c1-16-11-4-2-3-9(7-11)15-10-5-6-12(13)14-8-10;/h2-8,15H,1H3,(H2,13,14);1H.
What are the key properties of 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride?
5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methoxyphenyl)pyridine-2,5-diamine;hydrochloride is sourced from PubChem (CID 122164027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).