[2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid

C9H9F3N2O3 — CID 122516804

IUPAC[2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(CO)nc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)7-2-5(3-13-8(16)17)1-6(4-15)14-7/h1-2,13,15H,3-4H2,(H,16,17)
InChIKeyCHKIESRTIVQSOA-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.36
Rot. Bonds3

About [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid

[2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid (PubChem CID 122516804) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
PubChem CID122516804
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name[2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(CO)nc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)7-2-5(3-13-8(16)17)1-6(4-15)14-7/h1-2,13,15H,3-4H2,(H,16,17)
InChIKeyCHKIESRTIVQSOA-UHFFFAOYSA-N
XLogP1.36
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate
CID 122536420
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methylcarbamic acid
CID 129139581
[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 130783137
[3-fluoro-5-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylcarbamic acid
CID 174218601
(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
CID 122049909
[1-[[2-prop-1-en-2-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylcarbamic acid
CID 146194133
sodium;boranuide;[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 160647175
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098328
3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]benzoic acid
CID 122517013
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methylcarbamic acid
CID 170166266
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
The IUPAC name of [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid (CID 122516804) is [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
The canonical SMILES for [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid is O=C(O)NCc1cc(CO)nc(C(F)(F)F)c1.
What is the InChIKey of [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
The InChIKey is CHKIESRTIVQSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)7-2-5(3-13-8(16)17)1-6(4-15)14-7/h1-2,13,15H,3-4H2,(H,16,17).
What are the key properties of [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
[2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid has a molecular weight of 250.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 122516804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).