amino 2-chloro-5-fluoropyridine-3-carboxylate

C6H4ClFN2O2 — CID 134381253

IUPACamino 2-chloro-5-fluoropyridine-3-carboxylate
SMILESNOC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-5-4(6(11)12-9)1-3(8)2-10-5/h1-2H,9H2
InChIKeyAGRBQICWTIWOTI-UHFFFAOYSA-N
MW190.56 g/mol
LogP0.90
Rot. Bonds1

About amino 2-chloro-5-fluoropyridine-3-carboxylate

amino 2-chloro-5-fluoropyridine-3-carboxylate (PubChem CID 134381253) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is amino 2-chloro-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameamino 2-chloro-5-fluoropyridine-3-carboxylate
PubChem CID134381253
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Nameamino 2-chloro-5-fluoropyridine-3-carboxylate
SMILESNOC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-5-4(6(11)12-9)1-3(8)2-10-5/h1-2H,9H2
InChIKeyAGRBQICWTIWOTI-UHFFFAOYSA-N
XLogP0.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103881060
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-butoxyethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035402
3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035411
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
(2-chloro-5-fluoropyridine-3-carbonyl) 2-(cyclopentylamino)-5-fluoropyridine-3-carboxylate
CID 87583158
1-chloropentyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 175533602
1-(2-chloro-5-fluoro-3-pyridinyl)ethanone;methylcyclohexane
CID 142991897
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-5-fluoro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 103893092
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342

Frequently Asked Questions

What is the IUPAC name of amino 2-chloro-5-fluoropyridine-3-carboxylate?
The IUPAC name of amino 2-chloro-5-fluoropyridine-3-carboxylate (CID 134381253) is amino 2-chloro-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for amino 2-chloro-5-fluoropyridine-3-carboxylate?
The canonical SMILES for amino 2-chloro-5-fluoropyridine-3-carboxylate is NOC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of amino 2-chloro-5-fluoropyridine-3-carboxylate?
The InChIKey is AGRBQICWTIWOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-5-4(6(11)12-9)1-3(8)2-10-5/h1-2H,9H2.
What are the key properties of amino 2-chloro-5-fluoropyridine-3-carboxylate?
amino 2-chloro-5-fluoropyridine-3-carboxylate has a molecular weight of 190.56 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-chloro-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 134381253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).