[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol

C9H12F2N2O2 — CID 118831446

IUPAC[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cc(C(F)F)c(CO)nc1CN
InChIInChI=1S/C9H12F2N2O2/c1-15-8-2-5(9(10)11)7(4-14)13-6(8)3-12/h2,9,14H,3-4,12H2,1H3
InChIKeyOMVLBJSCIKZJOT-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.98
Rot. Bonds4

About [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol

[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol (PubChem CID 118831446) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
PubChem CID118831446
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cc(C(F)F)c(CO)nc1CN
InChIInChI=1S/C9H12F2N2O2/c1-15-8-2-5(9(10)11)7(4-14)13-6(8)3-12/h2,9,14H,3-4,12H2,1H3
InChIKeyOMVLBJSCIKZJOT-UHFFFAOYSA-N
XLogP0.98
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
[5-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087918
[6-(aminomethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 118847964
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
[6-amino-3-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 119018023
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085326
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol?
The IUPAC name of [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol (CID 118831446) is [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol?
The canonical SMILES for [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol is COc1cc(C(F)F)c(CO)nc1CN.
What is the InChIKey of [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol?
The InChIKey is OMVLBJSCIKZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-15-8-2-5(9(10)11)7(4-14)13-6(8)3-12/h2,9,14H,3-4,12H2,1H3.
What are the key properties of [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol?
[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol has a molecular weight of 218.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 118831446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).