3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C10H11ClN2O4 — CID 104877898

IUPAC3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccnc(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClN2O4/c1-10(17,9(15)16)5-13-8(14)6-2-3-12-7(11)4-6/h2-4,17H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyFQWZARMAANZOGW-UHFFFAOYSA-N
MW258.66 g/mol
LogP0.30
Rot. Bonds4

About 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104877898) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104877898
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccnc(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClN2O4/c1-10(17,9(15)16)5-13-8(14)6-2-3-12-7(11)4-6/h2-4,17H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyFQWZARMAANZOGW-UHFFFAOYSA-N
XLogP0.30
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602
3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
3-[(2-chloropyridine-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 113263258
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid
CID 114103306
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
CID 37245133

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 104877898) is 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1ccnc(Cl)c1)C(=O)O.
What is the InChIKey of 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is FQWZARMAANZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-10(17,9(15)16)5-13-8(14)6-2-3-12-7(11)4-6/h2-4,17H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 258.66 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104877898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).