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

C9H9ClF2N2O2 — CID 118807335

IUPAC2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNCc1cc(CC(=O)O)nc(C(F)F)c1Cl
InChIInChI=1S/C9H9ClF2N2O2/c10-7-4(3-13)1-5(2-6(15)16)14-8(7)9(11)12/h1,9H,2-3,13H2,(H,15,16)
InChIKeySEBNXDRICDQCLZ-UHFFFAOYSA-N
MW250.63 g/mol
LogP1.76
Rot. Bonds4

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

2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 118807335) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID118807335
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Name2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNCc1cc(CC(=O)O)nc(C(F)F)c1Cl
InChIInChI=1S/C9H9ClF2N2O2/c10-7-4(3-13)1-5(2-6(15)16)14-8(7)9(11)12/h1,9H,2-3,13H2,(H,15,16)
InChIKeySEBNXDRICDQCLZ-UHFFFAOYSA-N
XLogP1.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101376
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071417
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 133084251

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid (CID 118807335) is 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid is NCc1cc(CC(=O)O)nc(C(F)F)c1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is SEBNXDRICDQCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c10-7-4(3-13)1-5(2-6(15)16)14-8(7)9(11)12/h1,9H,2-3,13H2,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 250.63 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118807335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).