3-(4-chlorophenyl)pyridin-4-amine

C11H9ClN2 — CID 57017038

IUPAC3-(4-chlorophenyl)pyridin-4-amine
SMILESNc1ccncc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2/c12-9-3-1-8(2-4-9)10-7-14-6-5-11(10)13/h1-7H,(H2,13,14)
InChIKeyKJSAFCLXZZQXDB-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.98
Rot. Bonds1

About 3-(4-chlorophenyl)pyridin-4-amine

3-(4-chlorophenyl)pyridin-4-amine (PubChem CID 57017038) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)pyridin-4-amine
PubChem CID57017038
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name3-(4-chlorophenyl)pyridin-4-amine
SMILESNc1ccncc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2/c12-9-3-1-8(2-4-9)10-7-14-6-5-11(10)13/h1-7H,(H2,13,14)
InChIKeyKJSAFCLXZZQXDB-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)pyridin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)pyridin-4-amine (CID 57017038) is 3-(4-chlorophenyl)pyridin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)pyridin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)pyridin-4-amine is Nc1ccncc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)pyridin-4-amine?
The InChIKey is KJSAFCLXZZQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-9-3-1-8(2-4-9)10-7-14-6-5-11(10)13/h1-7H,(H2,13,14).
What are the key properties of 3-(4-chlorophenyl)pyridin-4-amine?
3-(4-chlorophenyl)pyridin-4-amine has a molecular weight of 204.66 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)pyridin-4-amine is sourced from PubChem (CID 57017038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).