6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine

C10H14ClN3 — CID 130783828

IUPAC6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CC(CNc2cccc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3/c1-14-6-8(7-14)5-12-10-4-2-3-9(11)13-10/h2-4,8H,5-7H2,1H3,(H,12,13)
InChIKeyFLECUPSQYBBKKG-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.71
Rot. Bonds3

About 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine

6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine (PubChem CID 130783828) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine
PubChem CID130783828
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CC(CNc2cccc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3/c1-14-6-8(7-14)5-12-10-4-2-3-9(11)13-10/h2-4,8H,5-7H2,1H3,(H,12,13)
InChIKeyFLECUPSQYBBKKG-UHFFFAOYSA-N
XLogP1.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridazin-3-amine
CID 131048743
6-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 53410289
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 62406758
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
6-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63591478
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 106196975
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860
6-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 60856462
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
6-chloro-2-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80935978

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine (CID 130783828) is 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine is CN1CC(CNc2cccc(Cl)n2)C1.
What is the InChIKey of 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is FLECUPSQYBBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14-6-8(7-14)5-12-10-4-2-3-9(11)13-10/h2-4,8H,5-7H2,1H3,(H,12,13).
What are the key properties of 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine?
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 211.70 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 130783828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).