3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid

C8H7ClF2N2O2 — CID 130075064

IUPAC3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1c(Cl)ncc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7ClF2N2O2/c9-6-3(1-12)5(8(14)15)4(2-13-6)7(10)11/h2,7H,1,12H2,(H,14,15)
InChIKeyJGMBSFWSBUDWDE-UHFFFAOYSA-N
MW236.60 g/mol
LogP1.83
Rot. Bonds3

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

3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 130075064) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID130075064
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1c(Cl)ncc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7ClF2N2O2/c9-6-3(1-12)5(8(14)15)4(2-13-6)7(10)11/h2,7H,1,12H2,(H,14,15)
InChIKeyJGMBSFWSBUDWDE-UHFFFAOYSA-N
XLogP1.83
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 119015603
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
3-(bromomethyl)-5-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087232
2-[2-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 118993349
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid (CID 130075064) is 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid is NCc1c(Cl)ncc(C(F)F)c1C(=O)O.
What is the InChIKey of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is JGMBSFWSBUDWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-6-3(1-12)5(8(14)15)4(2-13-6)7(10)11/h2,7H,1,12H2,(H,14,15).
What are the key properties of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid?
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 236.60 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 130075064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).