4-(2-chloroethyl)pyridin-2-amine

C7H9ClN2 — CID 91610191

IUPAC4-(2-chloroethyl)pyridin-2-amine
SMILESNc1cc(CCCl)ccn1
InChIInChI=1S/C7H9ClN2/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1,3H2,(H2,9,10)
InChIKeyNARZSGVEPMAVPX-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.45
Rot. Bonds2

About 4-(2-chloroethyl)pyridin-2-amine

4-(2-chloroethyl)pyridin-2-amine (PubChem CID 91610191) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-(2-chloroethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-chloroethyl)pyridin-2-amine
PubChem CID91610191
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-(2-chloroethyl)pyridin-2-amine
SMILESNc1cc(CCCl)ccn1
InChIInChI=1S/C7H9ClN2/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1,3H2,(H2,9,10)
InChIKeyNARZSGVEPMAVPX-UHFFFAOYSA-N
XLogP1.45
TPSA38.91 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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Aminopyridine
CID 10439
2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-Amino-4-chloropyridine
CID 581866
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
2-Pyridinamine, 5-iodo-
CID 88579
4-Pyridineethanamine
CID 83275
5-Phenyl-2-pyridinamine
CID 105097
2-Pyridinamine, N-methyl-
CID 20727
3-(Chloromethyl)pyridine
CID 18358
5-Iodo-4-methylpyridin-2-amine
CID 17750195

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)pyridin-2-amine?
The IUPAC name of 4-(2-chloroethyl)pyridin-2-amine (CID 91610191) is 4-(2-chloroethyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-chloroethyl)pyridin-2-amine?
The canonical SMILES for 4-(2-chloroethyl)pyridin-2-amine is Nc1cc(CCCl)ccn1.
What is the InChIKey of 4-(2-chloroethyl)pyridin-2-amine?
The InChIKey is NARZSGVEPMAVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1,3H2,(H2,9,10).
What are the key properties of 4-(2-chloroethyl)pyridin-2-amine?
4-(2-chloroethyl)pyridin-2-amine 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 4-(2-chloroethyl)pyridin-2-amine is sourced from PubChem (CID 91610191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).