4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride

C7H9Cl2N3 — CID 86775704

IUPAC4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cc(CN)ccn1
InChIInChI=1S/C7H7N3.2ClH/c8-4-6-1-2-10-7(3-6)5-9;;/h1-3H,4,8H2;2*1H
InChIKeyLHQAMQIAECCSMV-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.26
Rot. Bonds1

About 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride

4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride (PubChem CID 86775704) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride
PubChem CID86775704
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cc(CN)ccn1
InChIInChI=1S/C7H7N3.2ClH/c8-4-6-1-2-10-7(3-6)5-9;;/h1-3H,4,8H2;2*1H
InChIKeyLHQAMQIAECCSMV-UHFFFAOYSA-N
XLogP1.26
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride?
The IUPAC name of 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride (CID 86775704) is 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1cc(CN)ccn1.
What is the InChIKey of 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride?
The InChIKey is LHQAMQIAECCSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2ClH/c8-4-6-1-2-10-7(3-6)5-9;;/h1-3H,4,8H2;2*1H.
What are the key properties of 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride?
4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride has a molecular weight of 206.08 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride is sourced from PubChem (CID 86775704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).