methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate

C10H12F2N2O2 — CID 134671472

IUPACmethyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(CN)c1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-16-8(15)2-6-4-14-5-7(3-13)9(6)10(11)12/h4-5,10H,2-3,13H2,1H3
InChIKeyDTBVPYFIVHAQMQ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate

methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134671472) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134671472
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Namemethyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(CN)c1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-16-8(15)2-6-4-14-5-7(3-13)9(6)10(11)12/h4-5,10H,2-3,13H2,1H3
InChIKeyDTBVPYFIVHAQMQ-UHFFFAOYSA-N
XLogP1.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211
methyl 2-[4-(aminomethyl)-3-cyano-2-(difluoromethyl)phenyl]acetate
CID 134658093
methyl 2-[3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086982
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[6-amino-5-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134677170
methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate
CID 131029040
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate (CID 134671472) is methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cncc(CN)c1C(F)F.
What is the InChIKey of methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is DTBVPYFIVHAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-16-8(15)2-6-4-14-5-7(3-13)9(6)10(11)12/h4-5,10H,2-3,13H2,1H3.
What are the key properties of methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 230.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134671472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).