5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid

C13H17ClN2O2 — CID 114100477

IUPAC5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
SMILESCCCC1(CNc2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-2-3-13(4-5-13)8-16-11-10(14)6-9(7-15-11)12(17)18/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyBEUSKNMGKJSSTP-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.43
Rot. Bonds6

About 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid

5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114100477) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
PubChem CID114100477
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
SMILESCCCC1(CNc2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-2-3-13(4-5-13)8-16-11-10(14)6-9(7-15-11)12(17)18/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyBEUSKNMGKJSSTP-UHFFFAOYSA-N
XLogP3.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529
6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide
CID 133380543
5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
CID 106339921
5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114136292
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133399112
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid (CID 114100477) is 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid is CCCC1(CNc2ncc(C(=O)O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is BEUSKNMGKJSSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-3-13(4-5-13)8-16-11-10(14)6-9(7-15-11)12(17)18/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114100477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).