5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine

C12H14ClFN2 — CID 79727699

IUPAC5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1N(CC1CC1)C1CC1
InChIInChI=1S/C12H14ClFN2/c13-9-5-11(14)12(15-6-9)16(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7H2
InChIKeyUIDJVRUYFUPIRC-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine

5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine (PubChem CID 79727699) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine
PubChem CID79727699
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1N(CC1CC1)C1CC1
InChIInChI=1S/C12H14ClFN2/c13-9-5-11(14)12(15-6-9)16(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7H2
InChIKeyUIDJVRUYFUPIRC-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine (CID 79727699) is 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine is Fc1cc(Cl)cnc1N(CC1CC1)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine?
The InChIKey is UIDJVRUYFUPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2/c13-9-5-11(14)12(15-6-9)16(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7H2.
What are the key properties of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine?
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine has a molecular weight of 240.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).