3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine

C7H8ClF2N3 — CID 118844985

IUPAC3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
SMILESNCc1c(Cl)ncc(C(F)F)c1N
InChIInChI=1S/C7H8ClF2N3/c8-6-3(1-11)5(12)4(2-13-6)7(9)10/h2,7H,1,11H2,(H2,12,13)
InChIKeyNHRMCMCDBFUGTE-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.71
Rot. Bonds2

About 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine

3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine (PubChem CID 118844985) has the molecular formula C7H8ClF2N3 and a molecular weight of 207.61 g/mol. Its IUPAC name is 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
PubChem CID118844985
Molecular FormulaC7H8ClF2N3
Molecular Weight207.61 g/mol
Exact Mass207.04
IUPAC Name3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
SMILESNCc1c(Cl)ncc(C(F)F)c1N
InChIInChI=1S/C7H8ClF2N3/c8-6-3(1-11)5(12)4(2-13-6)7(9)10/h2,7H,1,11H2,(H2,12,13)
InChIKeyNHRMCMCDBFUGTE-UHFFFAOYSA-N
XLogP1.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 51.71
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-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
2-(aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118850860
4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118829005
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119019336
2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-methylpyridine
CID 119006119

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine (CID 118844985) is 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine is NCc1c(Cl)ncc(C(F)F)c1N.
What is the InChIKey of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine?
The InChIKey is NHRMCMCDBFUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3/c8-6-3(1-11)5(12)4(2-13-6)7(9)10/h2,7H,1,11H2,(H2,12,13).
What are the key properties of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine?
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine has a molecular weight of 207.61 g/mol, XLogP of 1.71, 2 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)pyridin-4-amine is sourced from PubChem (CID 118844985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).