2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid

C12H12ClFN2O3 — CID 114037013

IUPAC2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(F)cnc2Cl)CCC1
InChIInChI=1S/C12H12ClFN2O3/c13-10-8(4-7(14)6-15-10)11(19)16-12(2-1-3-12)5-9(17)18/h4,6H,1-3,5H2,(H,16,19)(H,17,18)
InChIKeyNXQZLIHOZAJRKK-UHFFFAOYSA-N
MW286.69 g/mol
LogP2.00
Rot. Bonds4

About 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 114037013) has the molecular formula C12H12ClFN2O3 and a molecular weight of 286.69 g/mol. Its IUPAC name is 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID114037013
Molecular FormulaC12H12ClFN2O3
Molecular Weight286.69 g/mol
Exact Mass286.05
IUPAC Name2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(F)cnc2Cl)CCC1
InChIInChI=1S/C12H12ClFN2O3/c13-10-8(4-7(14)6-15-10)11(19)16-12(2-1-3-12)5-9(17)18/h4,6H,1-3,5H2,(H,16,19)(H,17,18)
InChIKeyNXQZLIHOZAJRKK-UHFFFAOYSA-N
XLogP2.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 114037063
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771
2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
CID 103790762
2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 114035108
2-[1-[(2-chloro-5-methylsulfanylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848323
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
CID 103940090
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid (CID 114037013) is 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(F)cnc2Cl)CCC1.
What is the InChIKey of 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is NXQZLIHOZAJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3/c13-10-8(4-7(14)6-15-10)11(19)16-12(2-1-3-12)5-9(17)18/h4,6H,1-3,5H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 286.69 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 114037013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).