1-(2-chloro-3-pyridinyl)-N-methylmethanamine

C7H9ClN2 — CID 22450444

IUPAC1-(2-chloro-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cccnc1Cl
InChIInChI=1S/C7H9ClN2/c1-9-5-6-3-2-4-10-7(6)8/h2-4,9H,5H2,1H3
InChIKeyIHVZCMZHYFPHSZ-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-chloro-3-pyridinyl)-N-methylmethanamine

1-(2-chloro-3-pyridinyl)-N-methylmethanamine (PubChem CID 22450444) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-methylmethanamine
PubChem CID22450444
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name1-(2-chloro-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cccnc1Cl
InChIInChI=1S/C7H9ClN2/c1-9-5-6-3-2-4-10-7(6)8/h2-4,9H,5H2,1H3
InChIKeyIHVZCMZHYFPHSZ-UHFFFAOYSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nitenpyram
CID 3034287
3-Methylpyridine
CID 7970
Rivanicline
CID 5310967
N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
CID 213021
3-Ethylpyridine
CID 10823
3-Pyridinemethanamine
CID 31018
Desnitro-imidacloprid
CID 10130527
2-Chloropyridine
CID 7977
Imidacloprid urea
CID 15390532
(-)-Anatabine
CID 11388
4-Ethylpyridine
CID 10822
4-Pyridinemethanamine
CID 77317

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-methylmethanamine (CID 22450444) is 1-(2-chloro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-methylmethanamine is CNCc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is IHVZCMZHYFPHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-9-5-6-3-2-4-10-7(6)8/h2-4,9H,5H2,1H3.
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
1-(2-chloro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 156.62 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 22450444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).