5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine

C10H13ClN2O2 — CID 129272079

IUPAC5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine
SMILESCC1(c2cc(Cl)cnc2N)CCOCO1
InChIInChI=1S/C10H13ClN2O2/c1-10(2-3-14-6-15-10)8-4-7(11)5-13-9(8)12/h4-5H,2-3,6H2,1H3,(H2,12,13)
InChIKeyOOVALKDPLNHHBO-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.93
Rot. Bonds1

About 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine

5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine (PubChem CID 129272079) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine
PubChem CID129272079
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine
SMILESCC1(c2cc(Cl)cnc2N)CCOCO1
InChIInChI=1S/C10H13ClN2O2/c1-10(2-3-14-6-15-10)8-4-7(11)5-13-9(8)12/h4-5H,2-3,6H2,1H3,(H2,12,13)
InChIKeyOOVALKDPLNHHBO-UHFFFAOYSA-N
XLogP1.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine (CID 129272079) is 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine is CC1(c2cc(Cl)cnc2N)CCOCO1.
What is the InChIKey of 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine?
The InChIKey is OOVALKDPLNHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2-3-14-6-15-10)8-4-7(11)5-13-9(8)12/h4-5H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine?
5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine has a molecular weight of 228.68 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 129272079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).