2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid

C10H12F2N2O3 — CID 118846731

IUPAC2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)ncc(C(F)F)c1CN
InChIInChI=1S/C10H12F2N2O3/c1-17-9-5(3-13)6(10(11)12)4-14-7(9)2-8(15)16/h4,10H,2-3,13H2,1H3,(H,15,16)
InChIKeyRBRVHKCWEGIHDE-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid

2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid (PubChem CID 118846731) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
PubChem CID118846731
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)ncc(C(F)F)c1CN
InChIInChI=1S/C10H12F2N2O3/c1-17-9-5(3-13)6(10(11)12)4-14-7(9)2-8(15)16/h4,10H,2-3,13H2,1H3,(H,15,16)
InChIKeyRBRVHKCWEGIHDE-UHFFFAOYSA-N
XLogP1.11
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 133099810
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631
2-[3-(chloromethyl)-5-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 133099654
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118996845
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid (CID 118846731) is 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid is COc1c(CC(=O)O)ncc(C(F)F)c1CN.
What is the InChIKey of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
The InChIKey is RBRVHKCWEGIHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-17-9-5(3-13)6(10(11)12)4-14-7(9)2-8(15)16/h4,10H,2-3,13H2,1H3,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid has a molecular weight of 246.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 118846731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).