2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid

C7H7F2N3O5 — CID 175491653

IUPAC2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid
SMILESNc1cc(C(=O)O)c(OC(F)F)cn1.O=NO
InChIInChI=1S/C7H6F2N2O3.HNO2/c8-7(9)14-4-2-11-5(10)1-3(4)6(12)13;2-1-3/h1-2,7H,(H2,10,11)(H,12,13);(H,2,3)
InChIKeySADAFLKPFMSQNV-UHFFFAOYSA-N
MW251.14 g/mol
LogP1.11
Rot. Bonds3

About 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid

2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid (PubChem CID 175491653) has the molecular formula C7H7F2N3O5 and a molecular weight of 251.14 g/mol. Its IUPAC name is 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid.

Molecular Properties

Compound Name2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid
PubChem CID175491653
Molecular FormulaC7H7F2N3O5
Molecular Weight251.14 g/mol
Exact Mass251.04
IUPAC Name2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid
SMILESNc1cc(C(=O)O)c(OC(F)F)cn1.O=NO
InChIInChI=1S/C7H6F2N2O3.HNO2/c8-7(9)14-4-2-11-5(10)1-3(4)6(12)13;2-1-3/h1-2,7H,(H2,10,11)(H,12,13);(H,2,3)
InChIKeySADAFLKPFMSQNV-UHFFFAOYSA-N
XLogP1.11
TPSA135.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118997560
4,5-diamino-2-(difluoromethoxy)benzoic acid
CID 67232291
2-amino-5-cyclobutyloxypyridine-4-carboxylic acid
CID 130479587
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
2-amino-5-(3,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 114195658
2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
CID 114195711
2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 53416466
2-amino-5-(2-ethylphenoxy)pyridine-4-carboxylic acid
CID 114195655
5-amino-2-(difluoromethoxy)-4-nitrobenzoic acid
CID 66765408
2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid
CID 55269278

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid?
The IUPAC name of 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid (CID 175491653) is 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid.
What is the SMILES notation for 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid?
The canonical SMILES for 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid is Nc1cc(C(=O)O)c(OC(F)F)cn1.O=NO.
What is the InChIKey of 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid?
The InChIKey is SADAFLKPFMSQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3.HNO2/c8-7(9)14-4-2-11-5(10)1-3(4)6(12)13;2-1-3/h1-2,7H,(H2,10,11)(H,12,13);(H,2,3).
What are the key properties of 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid?
2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid has a molecular weight of 251.14 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid is sourced from PubChem (CID 175491653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).