3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine

C12H17ClN2O2 — CID 90286617

IUPAC3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine
SMILESCC1(C)OC(c2cnc(N)c(Cl)c2)OC1(C)C
InChIInChI=1S/C12H17ClN2O2/c1-11(2)12(3,4)17-10(16-11)7-5-8(13)9(14)15-6-7/h5-6,10H,1-4H3,(H2,14,15)
InChIKeyIDOPOVREDVUOKO-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.92
Rot. Bonds1

About 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine

3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine (PubChem CID 90286617) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine
PubChem CID90286617
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine
SMILESCC1(C)OC(c2cnc(N)c(Cl)c2)OC1(C)C
InChIInChI=1S/C12H17ClN2O2/c1-11(2)12(3,4)17-10(16-11)7-5-8(13)9(14)15-6-7/h5-6,10H,1-4H3,(H2,14,15)
InChIKeyIDOPOVREDVUOKO-UHFFFAOYSA-N
XLogP2.92
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-3-(1,3-dioxolan-2-yl)pyridine
CID 54495642
2-Chloro-5-(1,3-dioxolan-2-YL)pyridine
CID 54775538
5-Chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine
CID 67975597
5-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 90286652
5-(Ethoxymethoxymethyl)-3-fluoropyridin-2-amine
CID 137387624
5-(4-Tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine
CID 19892026
5-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine
CID 21081694
3-Chloro-5-(dimethoxymethyl)pyridine
CID 24229180
2-(5-Chloro-3-pyridinyl)-2,2-diethoxyethanamine
CID 59108611
3-Ethoxymethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-ylamine
CID 59612990
3-Methoxymethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-ylamine
CID 59619960
[2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate
CID 67077544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine (CID 90286617) is 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine is CC1(C)OC(c2cnc(N)c(Cl)c2)OC1(C)C.
What is the InChIKey of 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
The InChIKey is IDOPOVREDVUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-11(2)12(3,4)17-10(16-11)7-5-8(13)9(14)15-6-7/h5-6,10H,1-4H3,(H2,14,15).
What are the key properties of 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine has a molecular weight of 256.73 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 90286617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).