6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde

C9H10F2N2O2 — CID 133085000

IUPAC6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(CN)cc(C(F)F)c1C=O
InChIInChI=1S/C9H10F2N2O2/c1-15-9-7(4-14)6(8(10)11)2-5(3-12)13-9/h2,4,8H,3,12H2,1H3
InChIKeyKHQBFJOOSYVERO-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.30
Rot. Bonds4

About 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde

6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde (PubChem CID 133085000) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
PubChem CID133085000
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(CN)cc(C(F)F)c1C=O
InChIInChI=1S/C9H10F2N2O2/c1-15-9-7(4-14)6(8(10)11)2-5(3-12)13-9/h2,4,8H,3,12H2,1H3
InChIKeyKHQBFJOOSYVERO-UHFFFAOYSA-N
XLogP1.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 119020523
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611
6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075022

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde (CID 133085000) is 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde is COc1nc(CN)cc(C(F)F)c1C=O.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde?
The InChIKey is KHQBFJOOSYVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-9-7(4-14)6(8(10)11)2-5(3-12)13-9/h2,4,8H,3,12H2,1H3.
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde?
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde has a molecular weight of 216.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 133085000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).