5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine

C13H14ClN3 — CID 79738374

IUPAC5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCCc1ccc(Cc2cc(Cl)cnc2N)nc1
InChIInChI=1S/C13H14ClN3/c1-2-9-3-4-12(16-7-9)6-10-5-11(14)8-17-13(10)15/h3-5,7-8H,2,6H2,1H3,(H2,15,17)
InChIKeyXNJCIIHGNGTXLM-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.87
Rot. Bonds3

About 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine

5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine (PubChem CID 79738374) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
PubChem CID79738374
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCCc1ccc(Cc2cc(Cl)cnc2N)nc1
InChIInChI=1S/C13H14ClN3/c1-2-9-3-4-12(16-7-9)6-10-5-11(14)8-17-13(10)15/h3-5,7-8H,2,6H2,1H3,(H2,15,17)
InChIKeyXNJCIIHGNGTXLM-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423
6-[(5-ethyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79739090
3-chloro-4-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 114076462
1-(3,5-dichloro-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79780214
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
CID 83129957
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
CID 79723425
5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 121264421
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine
CID 65318608

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine (CID 79738374) is 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine is CCc1ccc(Cc2cc(Cl)cnc2N)nc1.
What is the InChIKey of 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is XNJCIIHGNGTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-9-3-4-12(16-7-9)6-10-5-11(14)8-17-13(10)15/h3-5,7-8H,2,6H2,1H3,(H2,15,17).
What are the key properties of 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine?
5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 79738374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).