4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine

C7H8ClF2N3 — CID 130102649

IUPAC4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine
SMILESNCc1cc(Cl)nc(C(F)F)c1N
InChIInChI=1S/C7H8ClF2N3/c8-4-1-3(2-11)5(12)6(13-4)7(9)10/h1,7H,2,11-12H2
InChIKeyTVRQIXHXGVYUAW-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.71
Rot. Bonds2

About 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine

4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine (PubChem CID 130102649) has the molecular formula C7H8ClF2N3 and a molecular weight of 207.61 g/mol. Its IUPAC name is 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine
PubChem CID130102649
Molecular FormulaC7H8ClF2N3
Molecular Weight207.61 g/mol
Exact Mass207.04
IUPAC Name4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine
SMILESNCc1cc(Cl)nc(C(F)F)c1N
InChIInChI=1S/C7H8ClF2N3/c8-4-1-3(2-11)5(12)6(13-4)7(9)10/h1,7H,2,11-12H2
InChIKeyTVRQIXHXGVYUAW-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

[6-chloro-2-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095492
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-amine
CID 130102646
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
3-(aminomethyl)-6-(difluoromethyl)pyridine-2,5-diamine
CID 130098680
5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
CID 130098671
6-bromo-4-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130101605
6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075642
[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095491
3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine
CID 119017545
6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine (CID 130102649) is 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine is NCc1cc(Cl)nc(C(F)F)c1N.
What is the InChIKey of 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine?
The InChIKey is TVRQIXHXGVYUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3/c8-4-1-3(2-11)5(12)6(13-4)7(9)10/h1,7H,2,11-12H2.
What are the key properties of 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine?
4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-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 4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130102649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).