6-chloro-4-(methylaminomethyl)pyridin-2-amine

C7H10ClN3 — CID 89380698

IUPAC6-chloro-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N)nc(Cl)c1
InChIInChI=1S/C7H10ClN3/c1-10-4-5-2-6(8)11-7(9)3-5/h2-3,10H,4H2,1H3,(H2,9,11)
InChIKeyNJNZMDFDLTUFLM-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.04
Rot. Bonds2

About 6-chloro-4-(methylaminomethyl)pyridin-2-amine

6-chloro-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 89380698) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 6-chloro-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(methylaminomethyl)pyridin-2-amine
PubChem CID89380698
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name6-chloro-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N)nc(Cl)c1
InChIInChI=1S/C7H10ClN3/c1-10-4-5-2-6(8)11-7(9)3-5/h2-3,10H,4H2,1H3,(H2,9,11)
InChIKeyNJNZMDFDLTUFLM-UHFFFAOYSA-N
XLogP1.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-(methylaminomethyl)pyridin-2-amine (CID 89380698) is 6-chloro-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-(methylaminomethyl)pyridin-2-amine is CNCc1cc(N)nc(Cl)c1.
What is the InChIKey of 6-chloro-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is NJNZMDFDLTUFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-10-4-5-2-6(8)11-7(9)3-5/h2-3,10H,4H2,1H3,(H2,9,11).
What are the key properties of 6-chloro-4-(methylaminomethyl)pyridin-2-amine?
6-chloro-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 171.63 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 89380698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).