[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid

C9H6F2N4O3 — CID 166061915

IUPAC[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(-c2nnc(C(F)F)o2)ccn1
InChIInChI=1S/C9H6F2N4O3/c10-6(11)8-15-14-7(18-8)4-1-2-12-5(3-4)13-9(16)17/h1-3,6H,(H,12,13)(H,16,17)
InChIKeyCBNDUGYAIYIANK-UHFFFAOYSA-N
MW256.17 g/mol
LogP2.16
Rot. Bonds3

About [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid

[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid (PubChem CID 166061915) has the molecular formula C9H6F2N4O3 and a molecular weight of 256.17 g/mol. Its IUPAC name is [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid
PubChem CID166061915
Molecular FormulaC9H6F2N4O3
Molecular Weight256.17 g/mol
Exact Mass256.04
IUPAC Name[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(-c2nnc(C(F)F)o2)ccn1
InChIInChI=1S/C9H6F2N4O3/c10-6(11)8-15-14-7(18-8)4-1-2-12-5(3-4)13-9(16)17/h1-3,6H,(H,12,13)(H,16,17)
InChIKeyCBNDUGYAIYIANK-UHFFFAOYSA-N
XLogP2.16
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid (CID 166061915) is [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid is O=C(O)Nc1cc(-c2nnc(C(F)F)o2)ccn1.
What is the InChIKey of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid?
The InChIKey is CBNDUGYAIYIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4O3/c10-6(11)8-15-14-7(18-8)4-1-2-12-5(3-4)13-9(16)17/h1-3,6H,(H,12,13)(H,16,17).
What are the key properties of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid?
[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid has a molecular weight of 256.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 166061915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).