6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde

C9H10F2N2O2 — CID 118836807

IUPAC6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C(F)F)c(C=O)nc1CN
InChIInChI=1S/C9H10F2N2O2/c1-15-8-2-5(9(10)11)7(4-14)13-6(8)3-12/h2,4,9H,3,12H2,1H3
InChIKeyYJUJNGDPEVCKDH-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.30
Rot. Bonds4

About 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde

6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde (PubChem CID 118836807) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
PubChem CID118836807
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C(F)F)c(C=O)nc1CN
InChIInChI=1S/C9H10F2N2O2/c1-15-8-2-5(9(10)11)7(4-14)13-6(8)3-12/h2,4,9H,3,12H2,1H3
InChIKeyYJUJNGDPEVCKDH-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

[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880
2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113
2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118847981
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078112
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085326

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde (CID 118836807) is 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde is COc1cc(C(F)F)c(C=O)nc1CN.
What is the InChIKey of 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde?
The InChIKey is YJUJNGDPEVCKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-8-2-5(9(10)11)7(4-14)13-6(8)3-12/h2,4,9H,3,12H2,1H3.
What are the key properties of 6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde?
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-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)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 118836807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).