(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid

C10H13FN2O3 — CID 170307338

IUPAC(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid
SMILESCC(C)Oc1ncc(CNC(=O)O)cc1F
InChIInChI=1S/C10H13FN2O3/c1-6(2)16-9-8(11)3-7(4-12-9)5-13-10(14)15/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyYJXYUTVBRDBFMW-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.78
Rot. Bonds4

About (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid

(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid (PubChem CID 170307338) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid
PubChem CID170307338
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid
SMILESCC(C)Oc1ncc(CNC(=O)O)cc1F
InChIInChI=1S/C10H13FN2O3/c1-6(2)16-9-8(11)3-7(4-12-9)5-13-10(14)15/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyYJXYUTVBRDBFMW-UHFFFAOYSA-N
XLogP1.78
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
(5-fluoro-6-methoxy-3-pyridinyl)methanamine
CID 58258904
2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83884926
[3-[3-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]phenyl]methylcarbamic acid
CID 69496628
2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
CID 98784176
N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 151677049
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
(4-fluoro-3-hydroxyphenyl)methylcarbamic acid
CID 68728190

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid?
The IUPAC name of (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid (CID 170307338) is (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid?
The canonical SMILES for (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid is CC(C)Oc1ncc(CNC(=O)O)cc1F.
What is the InChIKey of (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid?
The InChIKey is YJXYUTVBRDBFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-6(2)16-9-8(11)3-7(4-12-9)5-13-10(14)15/h3-4,6,13H,5H2,1-2H3,(H,14,15).
What are the key properties of (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid?
(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid has a molecular weight of 228.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 170307338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).