(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate

C8H9ClN2O4 — CID 70188905

IUPAC(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate
SMILESCOC(=O)Oc1cc(Cl)c(N)nc1OC
InChIInChI=1S/C8H9ClN2O4/c1-13-7-5(15-8(12)14-2)3-4(9)6(10)11-7/h3H,1-2H3,(H2,10,11)
InChIKeyGCFRQTYZCAQBTE-UHFFFAOYSA-N
MW232.62 g/mol
LogP1.47
Rot. Bonds2

About (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate

(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate (PubChem CID 70188905) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate.

Molecular Properties

Compound Name(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate
PubChem CID70188905
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Name(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate
SMILESCOC(=O)Oc1cc(Cl)c(N)nc1OC
InChIInChI=1S/C8H9ClN2O4/c1-13-7-5(15-8(12)14-2)3-4(9)6(10)11-7/h3H,1-2H3,(H2,10,11)
InChIKeyGCFRQTYZCAQBTE-UHFFFAOYSA-N
XLogP1.47
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-2,6-dichlorophenyl) methyl carbonate
CID 131111049
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate
CID 18923770
3,5-dichloro-6-methoxypyrazin-2-amine
CID 86014739
2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
CID 54333779
methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate
CID 107498115
6-amino-4-chloro-2-methoxypyridine-3-carboxylic acid
CID 70318637
3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine
CID 102761071
(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
CID 54379718

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate?
The IUPAC name of (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate (CID 70188905) is (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate.
What is the SMILES notation for (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate?
The canonical SMILES for (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate is COC(=O)Oc1cc(Cl)c(N)nc1OC.
What is the InChIKey of (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate?
The InChIKey is GCFRQTYZCAQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c1-13-7-5(15-8(12)14-2)3-4(9)6(10)11-7/h3H,1-2H3,(H2,10,11).
What are the key properties of (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate?
(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate has a molecular weight of 232.62 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate is sourced from PubChem (CID 70188905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).