[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine

C9H12F2N2O — CID 130087781

IUPAC[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
SMILESCOc1ncc(C(F)F)c(CN)c1C
InChIInChI=1S/C9H12F2N2O/c1-5-6(3-12)7(8(10)11)4-13-9(5)14-2/h4,8H,3,12H2,1-2H3
InChIKeyQHNYDWIVUUYEQR-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.79
Rot. Bonds3

About [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine

[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine (PubChem CID 130087781) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
PubChem CID130087781
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
SMILESCOc1ncc(C(F)F)c(CN)c1C
InChIInChI=1S/C9H12F2N2O/c1-5-6(3-12)7(8(10)11)4-13-9(5)14-2/h4,8H,3,12H2,1-2H3
InChIKeyQHNYDWIVUUYEQR-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

4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanol
CID 130087925
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
5-(difluoromethyl)-3-iodo-2-methoxypyridin-4-amine
CID 118806527
5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
CID 133100579
ethyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102071
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084308
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077991

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine (CID 130087781) is [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine is COc1ncc(C(F)F)c(CN)c1C.
What is the InChIKey of [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine?
The InChIKey is QHNYDWIVUUYEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-5-6(3-12)7(8(10)11)4-13-9(5)14-2/h4,8H,3,12H2,1-2H3.
What are the key properties of [5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine?
[5-(difluoromethyl)-2-methoxy-3-methyl-4-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)-2-methoxy-3-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 130087781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).