methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate

C10H13ClN2O2 — CID 19791897

IUPACmethyl 5-chloro-2-(propylamino)pyridine-3-carboxylate
SMILESCCCNc1ncc(Cl)cc1C(=O)OC
InChIInChI=1S/C10H13ClN2O2/c1-3-4-12-9-8(10(14)15-2)5-7(11)6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyFSDUOLJDLLSFBX-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.34
Rot. Bonds4

About methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate

methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate (PubChem CID 19791897) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(propylamino)pyridine-3-carboxylate
PubChem CID19791897
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Namemethyl 5-chloro-2-(propylamino)pyridine-3-carboxylate
SMILESCCCNc1ncc(Cl)cc1C(=O)OC
InChIInChI=1S/C10H13ClN2O2/c1-3-4-12-9-8(10(14)15-2)5-7(11)6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyFSDUOLJDLLSFBX-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol
CID 157290725
methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 114047133
methyl 3,7-dichloroquinoline-6-carboxylate
CID 57210389
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-chloro-2-(3-ethoxypropylamino)pyridine-3-carboxylic acid;propane-1,2-diol
CID 159213008
methyl 5-chloro-2-methoxy-4-(propylamino)benzoate
CID 18322280
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate (CID 19791897) is methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate is CCCNc1ncc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate?
The InChIKey is FSDUOLJDLLSFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-3-4-12-9-8(10(14)15-2)5-7(11)6-13-9/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate?
methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate has a molecular weight of 228.68 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate is sourced from PubChem (CID 19791897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).