2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid

C9H10F2N2O3 — CID 133085035

IUPAC2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
SMILESCOc1c(CN)ncc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H10F2N2O3/c1-16-7-5(2-12)13-3-4(8(10)11)6(7)9(14)15/h3,8H,2,12H2,1H3,(H,14,15)
InChIKeyJFPSKVCHPAPGKM-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.18
Rot. Bonds4

About 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid

2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid (PubChem CID 133085035) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
PubChem CID133085035
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
SMILESCOc1c(CN)ncc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H10F2N2O3/c1-16-7-5(2-12)13-3-4(8(10)11)6(7)9(14)15/h3,8H,2,12H2,1H3,(H,14,15)
InChIKeyJFPSKVCHPAPGKM-UHFFFAOYSA-N
XLogP1.18
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570
ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133104158
ethyl 2-[5-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102073
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
CID 130085798
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid (CID 133085035) is 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid is COc1c(CN)ncc(C(F)F)c1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The InChIKey is JFPSKVCHPAPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-7-5(2-12)13-3-4(8(10)11)6(7)9(14)15/h3,8H,2,12H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid is sourced from PubChem (CID 133085035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).