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

C9H11F2N3O2 — CID 134684591

IUPAC2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNCc1c(CC(=O)O)ncc(N)c1C(F)F
InChIInChI=1S/C9H11F2N3O2/c10-9(11)8-4(2-12)6(1-7(15)16)14-3-5(8)13/h3,9H,1-2,12-13H2,(H,15,16)
InChIKeyFJHFCQQBRXYMFI-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.69
Rot. Bonds4

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

2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134684591) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134684591
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC Name2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNCc1c(CC(=O)O)ncc(N)c1C(F)F
InChIInChI=1S/C9H11F2N3O2/c10-9(11)8-4(2-12)6(1-7(15)16)14-3-5(8)13/h3,9H,1-2,12-13H2,(H,15,16)
InChIKeyFJHFCQQBRXYMFI-UHFFFAOYSA-N
XLogP0.69
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
2-[3-(bromomethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085015
2-[5-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 133101298
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021
2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130068471
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
methyl 2-[3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086982
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid (CID 134684591) is 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid is NCc1c(CC(=O)O)ncc(N)c1C(F)F.
What is the InChIKey of 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is FJHFCQQBRXYMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c10-9(11)8-4(2-12)6(1-7(15)16)14-3-5(8)13/h3,9H,1-2,12-13H2,(H,15,16).
What are the key properties of 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 231.20 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134684591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).