4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine

C13H14ClN3O — CID 67079933

IUPAC4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine
SMILESCCCOc1cc(-c2ccncc2N)c(Cl)cn1
InChIInChI=1S/C13H14ClN3O/c1-2-5-18-13-6-10(11(14)7-17-13)9-3-4-16-8-12(9)15/h3-4,6-8H,2,5,15H2,1H3
InChIKeyFLYSXDWTHKJHAP-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.17
Rot. Bonds4

About 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine

4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine (PubChem CID 67079933) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine
PubChem CID67079933
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine
SMILESCCCOc1cc(-c2ccncc2N)c(Cl)cn1
InChIInChI=1S/C13H14ClN3O/c1-2-5-18-13-6-10(11(14)7-17-13)9-3-4-16-8-12(9)15/h3-4,6-8H,2,5,15H2,1H3
InChIKeyFLYSXDWTHKJHAP-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine?
The IUPAC name of 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine (CID 67079933) is 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine?
The canonical SMILES for 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine is CCCOc1cc(-c2ccncc2N)c(Cl)cn1.
What is the InChIKey of 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine?
The InChIKey is FLYSXDWTHKJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-5-18-13-6-10(11(14)7-17-13)9-3-4-16-8-12(9)15/h3-4,6-8H,2,5,15H2,1H3.
What are the key properties of 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine?
4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine has a molecular weight of 263.73 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 67079933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).