2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid

C6H4ClFN2O2 — CID 165124028

IUPAC2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
SMILESNc1nc(Cl)c(F)cc1C(=O)O
InChIInChI=1S/C6H4ClFN2O2/c7-4-3(8)1-2(6(11)12)5(9)10-4/h1H,(H2,9,10)(H,11,12)
InChIKeyKVFFWMLUFMFDNY-UHFFFAOYSA-N
MW190.56 g/mol
LogP1.15
Rot. Bonds1

About 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid

2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid (PubChem CID 165124028) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
PubChem CID165124028
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Name2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
SMILESNc1nc(Cl)c(F)cc1C(=O)O
InChIInChI=1S/C6H4ClFN2O2/c7-4-3(8)1-2(6(11)12)5(9)10-4/h1H,(H2,9,10)(H,11,12)
InChIKeyKVFFWMLUFMFDNY-UHFFFAOYSA-N
XLogP1.15
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 51.15
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

2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
CID 23129198
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22441073
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038
lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
CID 54351265
(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone
CID 141317556
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid (CID 165124028) is 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid is Nc1nc(Cl)c(F)cc1C(=O)O.
What is the InChIKey of 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid?
The InChIKey is KVFFWMLUFMFDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-4-3(8)1-2(6(11)12)5(9)10-4/h1H,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid?
2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid has a molecular weight of 190.56 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 165124028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).