[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid

C12H10FN3O2 — CID 174234102

IUPAC[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2ccnc(NC(=O)O)c2)ccc1F
InChIInChI=1S/C12H10FN3O2/c1-7-9(13)2-3-10(15-7)8-4-5-14-11(6-8)16-12(17)18/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyGWNPFWGSRYCJCA-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.68
Rot. Bonds2

About [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid

[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid (PubChem CID 174234102) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
PubChem CID174234102
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2ccnc(NC(=O)O)c2)ccc1F
InChIInChI=1S/C12H10FN3O2/c1-7-9(13)2-3-10(15-7)8-4-5-14-11(6-8)16-12(17)18/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyGWNPFWGSRYCJCA-UHFFFAOYSA-N
XLogP2.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid?
The IUPAC name of [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid (CID 174234102) is [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid is Cc1nc(-c2ccnc(NC(=O)O)c2)ccc1F.
What is the InChIKey of [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid?
The InChIKey is GWNPFWGSRYCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-7-9(13)2-3-10(15-7)8-4-5-14-11(6-8)16-12(17)18/h2-6H,1H3,(H,14,16)(H,17,18).
What are the key properties of [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid?
[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid has a molecular weight of 247.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 174234102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).