1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine

C12H12ClN3 — CID 19973560

IUPAC1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine
SMILESNC(Cc1ccccn1)c1cccc(Cl)n1
InChIInChI=1S/C12H12ClN3/c13-12-6-3-5-11(16-12)10(14)8-9-4-1-2-7-15-9/h1-7,10H,8,14H2
InChIKeyXELDERDSZLGFFA-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.37
Rot. Bonds3

About 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine

1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine (PubChem CID 19973560) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine
PubChem CID19973560
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine
SMILESNC(Cc1ccccn1)c1cccc(Cl)n1
InChIInChI=1S/C12H12ClN3/c13-12-6-3-5-11(16-12)10(14)8-9-4-1-2-7-15-9/h1-7,10H,8,14H2
InChIKeyXELDERDSZLGFFA-UHFFFAOYSA-N
XLogP2.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.37
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

1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
1-(6-chloro-2-pyridinyl)but-3-en-1-amine
CID 55294039
1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
CID 55272790
3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
CID 55294253
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine
CID 162640474
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
1,2-dipyridin-2-ylethanol
CID 11458306
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
chloro(pyridin-2-yl)methanamine
CID 22075524
2-amino-3-pyridin-2-ylpropanal
CID 22556784

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine (CID 19973560) is 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine is NC(Cc1ccccn1)c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine?
The InChIKey is XELDERDSZLGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-12-6-3-5-11(16-12)10(14)8-9-4-1-2-7-15-9/h1-7,10H,8,14H2.
What are the key properties of 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine?
1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine has a molecular weight of 233.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 19973560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).