ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate

C10H11ClF2N2O2 — CID 134671019

IUPACethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(CN)c(C(F)F)c1Cl
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-10(16)5-4-15-6(3-14)7(8(5)11)9(12)13/h4,9H,2-3,14H2,1H3
InChIKeyRYQABKBZFYDILH-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.31
Rot. Bonds4

About ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate

ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134671019) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134671019
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC Nameethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(CN)c(C(F)F)c1Cl
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-10(16)5-4-15-6(3-14)7(8(5)11)9(12)13/h4,9H,2-3,14H2,1H3
InChIKeyRYQABKBZFYDILH-UHFFFAOYSA-N
XLogP2.31
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671858
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108
ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098516
ethyl 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100682
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
ethyl 4-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100691
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133104158
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate (CID 134671019) is ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(CN)c(C(F)F)c1Cl.
What is the InChIKey of ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is RYQABKBZFYDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O2/c1-2-17-10(16)5-4-15-6(3-14)7(8(5)11)9(12)13/h4,9H,2-3,14H2,1H3.
What are the key properties of ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate?
ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 264.66 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134671019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).