(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid

C10H11ClN2O4 — CID 175211532

IUPAC(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid
SMILESCCOC(=O)c1cc(Cl)cc(CNC(=O)O)n1
InChIInChI=1S/C10H11ClN2O4/c1-2-17-9(14)8-4-6(11)3-7(13-8)5-12-10(15)16/h3-4,12H,2,5H2,1H3,(H,15,16)
InChIKeyUEDYASANYQVINX-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.68
Rot. Bonds4

About (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid

(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid (PubChem CID 175211532) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid
PubChem CID175211532
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid
SMILESCCOC(=O)c1cc(Cl)cc(CNC(=O)O)n1
InChIInChI=1S/C10H11ClN2O4/c1-2-17-9(14)8-4-6(11)3-7(13-8)5-12-10(15)16/h3-4,12H,2,5H2,1H3,(H,15,16)
InChIKeyUEDYASANYQVINX-UHFFFAOYSA-N
XLogP1.68
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
diethyl 5,7-dichloroquinoline-2,4-dicarboxylate
CID 19747565
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589
ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate
CID 143442535
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate
CID 139502060
4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid
CID 96602240

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid?
The IUPAC name of (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid (CID 175211532) is (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid?
The canonical SMILES for (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid is CCOC(=O)c1cc(Cl)cc(CNC(=O)O)n1.
What is the InChIKey of (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid?
The InChIKey is UEDYASANYQVINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-2-17-9(14)8-4-6(11)3-7(13-8)5-12-10(15)16/h3-4,12H,2,5H2,1H3,(H,15,16).
What are the key properties of (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid?
(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid has a molecular weight of 258.66 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 175211532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).