4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate

C16H19Cl2N3O5 — CID 157211318

IUPAC4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate
SMILESCCO.CCOC(=O)Nc1cc(Cl)ccn1.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C8H9ClN2O2.C6H4ClNO2.C2H6O/c1-2-13-8(12)11-7-5-6(9)3-4-10-7;7-4-1-2-8-5(3-4)6(9)10;1-2-3/h3-5H,2H2,1H3,(H,10,11,12);1-3H,(H,9,10);3H,2H2,1H3
InChIKeyARXNHOYIVYQAHA-UHFFFAOYSA-N
MW404.25 g/mol
LogP3.74
Rot. Bonds3

About 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate

4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate (PubChem CID 157211318) has the molecular formula C16H19Cl2N3O5 and a molecular weight of 404.25 g/mol. Its IUPAC name is 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate.

Molecular Properties

Compound Name4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate
PubChem CID157211318
Molecular FormulaC16H19Cl2N3O5
Molecular Weight404.25 g/mol
Exact Mass403.07
IUPAC Name4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate
SMILESCCO.CCOC(=O)Nc1cc(Cl)ccn1.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C8H9ClN2O2.C6H4ClNO2.C2H6O/c1-2-13-8(12)11-7-5-6(9)3-4-10-7;7-4-1-2-8-5(3-4)6(9)10;1-2-3/h3-5H,2H2,1H3,(H,10,11,12);1-3H,(H,9,10);3H,2H2,1H3
InChIKeyARXNHOYIVYQAHA-UHFFFAOYSA-N
XLogP3.74
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
ethyl 3-(4-chloro-2-pyridinyl)-3-oxopropanoate
CID 53404617
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114
tert-butyl N-(4-chloro-2-pyridinyl)carbamate;ethyl formate
CID 161046296
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
N-(4-chloro-2-pyridinyl)-2-methylbutanamide
CID 115626778
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 152859838
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate?
The IUPAC name of 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate (CID 157211318) is 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate.
What is the SMILES notation for 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate?
The canonical SMILES for 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate is CCO.CCOC(=O)Nc1cc(Cl)ccn1.O=C(O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate?
The InChIKey is ARXNHOYIVYQAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2.C6H4ClNO2.C2H6O/c1-2-13-8(12)11-7-5-6(9)3-4-10-7;7-4-1-2-8-5(3-4)6(9)10;1-2-3/h3-5H,2H2,1H3,(H,10,11,12);1-3H,(H,9,10);3H,2H2,1H3.
What are the key properties of 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate?
4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate has a molecular weight of 404.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate is sourced from PubChem (CID 157211318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).