[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine

C9H12F2N2O — CID 118831411

IUPAC[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
SMILESCOc1nc(CN)c(C)cc1C(F)F
InChIInChI=1S/C9H12F2N2O/c1-5-3-6(8(10)11)9(14-2)13-7(5)4-12/h3,8H,4,12H2,1-2H3
InChIKeyOKEMTHGUHNVNHR-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.79
Rot. Bonds3

About [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine

[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine (PubChem CID 118831411) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
PubChem CID118831411
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
SMILESCOc1nc(CN)c(C)cc1C(F)F
InChIInChI=1S/C9H12F2N2O/c1-5-3-6(8(10)11)9(14-2)13-7(5)4-12/h3,8H,4,12H2,1-2H3
InChIKeyOKEMTHGUHNVNHR-UHFFFAOYSA-N
XLogP1.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
CID 130080552
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
CID 133103507
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 133099748
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130105886
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880
[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine (CID 118831411) is [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine is COc1nc(CN)c(C)cc1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine?
The InChIKey is OKEMTHGUHNVNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-5-3-6(8(10)11)9(14-2)13-7(5)4-12/h3,8H,4,12H2,1-2H3.
What are the key properties of [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine?
[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine has a molecular weight of 202.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 118831411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).