2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid

C10H8BrF2NO3 — CID 170730236

IUPAC2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)ncc1OCC1CC1(F)F
InChIInChI=1S/C10H8BrF2NO3/c11-8-1-6(9(15)16)7(3-14-8)17-4-5-2-10(5,12)13/h1,3,5H,2,4H2,(H,15,16)
InChIKeyRZLQOMBBCWPLQX-UHFFFAOYSA-N
MW308.08 g/mol
LogP2.58
Rot. Bonds4

About 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid

2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 170730236) has the molecular formula C10H8BrF2NO3 and a molecular weight of 308.08 g/mol. Its IUPAC name is 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid
PubChem CID170730236
Molecular FormulaC10H8BrF2NO3
Molecular Weight308.08 g/mol
Exact Mass306.97
IUPAC Name2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)ncc1OCC1CC1(F)F
InChIInChI=1S/C10H8BrF2NO3/c11-8-1-6(9(15)16)7(3-14-8)17-4-5-2-10(5,12)13/h1,3,5H,2,4H2,(H,15,16)
InChIKeyRZLQOMBBCWPLQX-UHFFFAOYSA-N
XLogP2.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 170731225
6-bromo-4-iodopyridine-3-carboxylic acid
CID 58266298
tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
CID 170730479
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
[1-(2-bromo-5-methylpyridine-4-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
CID 175396233
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
CID 132588856
2-bromo-5-fluoropyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;ethyl 2-bromo-5-ethoxypyridine-4-carboxylate
CID 157265296
1-(2-bromo-5-fluoro-4-pyridinyl)ethanone
CID 25222946
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
1-(2-bromo-5-fluoro-4-pyridinyl)-2,2-diethoxyethanone
CID 118924355

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid (CID 170730236) is 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1cc(Br)ncc1OCC1CC1(F)F.
What is the InChIKey of 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is RZLQOMBBCWPLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO3/c11-8-1-6(9(15)16)7(3-14-8)17-4-5-2-10(5,12)13/h1,3,5H,2,4H2,(H,15,16).
What are the key properties of 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid?
2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 308.08 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 170730236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).