[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol

C9H12F2N2O2 — CID 133084962

IUPAC[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
SMILESCOc1cnc(C(F)F)c(CN)c1CO
InChIInChI=1S/C9H12F2N2O2/c1-15-7-3-13-8(9(10)11)5(2-12)6(7)4-14/h3,9,14H,2,4,12H2,1H3
InChIKeyDDOXLNPYCZKNDR-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.98
Rot. Bonds4

About [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol

[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol (PubChem CID 133084962) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
PubChem CID133084962
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
SMILESCOc1cnc(C(F)F)c(CN)c1CO
InChIInChI=1S/C9H12F2N2O2/c1-15-7-3-13-8(9(10)11)5(2-12)6(7)4-14/h3,9,14H,2,4,12H2,1H3
InChIKeyDDOXLNPYCZKNDR-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-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 118840334
[2-(difluoromethyl)-4-fluoro-5-methoxy-3-pyridinyl]methanol
CID 130080710
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084908
[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
ethyl 2-[4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133085357
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813
2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118799601
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol?
The IUPAC name of [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol (CID 133084962) is [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol.
What is the SMILES notation for [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol?
The canonical SMILES for [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol is COc1cnc(C(F)F)c(CN)c1CO.
What is the InChIKey of [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol?
The InChIKey is DDOXLNPYCZKNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-15-7-3-13-8(9(10)11)5(2-12)6(7)4-14/h3,9,14H,2,4,12H2,1H3.
What are the key properties of [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol?
[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-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 [3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol is sourced from PubChem (CID 133084962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).