(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid

C7H8FN3O2 — CID 155209306

IUPAC(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid
SMILESNc1ccc(F)c(CNC(=O)O)n1
InChIInChI=1S/C7H8FN3O2/c8-4-1-2-6(9)11-5(4)3-10-7(12)13/h1-2,10H,3H2,(H2,9,11)(H,12,13)
InChIKeyDHPWOCZRZNYLOO-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.57
Rot. Bonds2

About (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid

(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid (PubChem CID 155209306) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid
PubChem CID155209306
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid
SMILESNc1ccc(F)c(CNC(=O)O)n1
InChIInChI=1S/C7H8FN3O2/c8-4-1-2-6(9)11-5(4)3-10-7(12)13/h1-2,10H,3H2,(H2,9,11)(H,12,13)
InChIKeyDHPWOCZRZNYLOO-UHFFFAOYSA-N
XLogP0.57
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid?
The IUPAC name of (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid (CID 155209306) is (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid?
The canonical SMILES for (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid is Nc1ccc(F)c(CNC(=O)O)n1.
What is the InChIKey of (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid?
The InChIKey is DHPWOCZRZNYLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c8-4-1-2-6(9)11-5(4)3-10-7(12)13/h1-2,10H,3H2,(H2,9,11)(H,12,13).
What are the key properties of (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid?
(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid has a molecular weight of 185.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 155209306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).