3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid

C14H19ClN2O2 — CID 107062793

IUPAC3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
SMILESCC1(C)C(CNc2nccc(C(=O)O)c2Cl)C1(C)C
InChIInChI=1S/C14H19ClN2O2/c1-13(2)9(14(13,3)4)7-17-11-10(15)8(12(18)19)5-6-16-11/h5-6,9H,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYCYIIYFGIWMDBQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.53
Rot. Bonds4

About 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid

3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 107062793) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
PubChem CID107062793
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
SMILESCC1(C)C(CNc2nccc(C(=O)O)c2Cl)C1(C)C
InChIInChI=1S/C14H19ClN2O2/c1-13(2)9(14(13,3)4)7-17-11-10(15)8(12(18)19)5-6-16-11/h5-6,9H,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYCYIIYFGIWMDBQ-UHFFFAOYSA-N
XLogP3.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 79351085
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid (CID 107062793) is 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid is CC1(C)C(CNc2nccc(C(=O)O)c2Cl)C1(C)C.
What is the InChIKey of 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is YCYIIYFGIWMDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-13(2)9(14(13,3)4)7-17-11-10(15)8(12(18)19)5-6-16-11/h5-6,9H,7H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).