2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid

C10H12F2N2O2 — CID 133084251

IUPAC2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(CC(=O)O)nc(CN)c1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-5-2-6(3-8(15)16)14-7(4-13)9(5)10(11)12/h2,10H,3-4,13H2,1H3,(H,15,16)
InChIKeyTUFQLFKOABDVQQ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.41
Rot. Bonds4

About 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid

2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid (PubChem CID 133084251) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
PubChem CID133084251
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(CC(=O)O)nc(CN)c1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-5-2-6(3-8(15)16)14-7(4-13)9(5)10(11)12/h2,10H,3-4,13H2,1H3,(H,15,16)
InChIKeyTUFQLFKOABDVQQ-UHFFFAOYSA-N
XLogP1.41
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074442
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]acetate
CID 133104669
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 118814114
2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid
CID 82574919
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 133098511

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid (CID 133084251) is 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid is Cc1cc(CC(=O)O)nc(CN)c1C(F)F.
What is the InChIKey of 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
The InChIKey is TUFQLFKOABDVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-5-2-6(3-8(15)16)14-7(4-13)9(5)10(11)12/h2,10H,3-4,13H2,1H3,(H,15,16).
What are the key properties of 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid has a molecular weight of 230.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 133084251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).