5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine

C15H14Cl2FN3 — CID 15604594

IUPAC5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine
SMILESFc1ccc(N(c2ccc(Cl)cn2)[C@H]2CCNC2)cc1Cl
InChIInChI=1S/C15H14Cl2FN3/c16-10-1-4-15(20-8-10)21(12-5-6-19-9-12)11-2-3-14(18)13(17)7-11/h1-4,7-8,12,19H,5-6,9H2/t12-/m0/s1
InChIKeyHMEMIOHQKXNXBV-LBPRGKRZSA-N
MW326.20 g/mol
LogP4.03
Rot. Bonds3

About 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine

5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 15604594) has the molecular formula C15H14Cl2FN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine
PubChem CID15604594
Molecular FormulaC15H14Cl2FN3
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine
SMILESFc1ccc(N(c2ccc(Cl)cn2)[C@H]2CCNC2)cc1Cl
InChIInChI=1S/C15H14Cl2FN3/c16-10-1-4-15(20-8-10)21(12-5-6-19-9-12)11-2-3-14(18)13(17)7-11/h1-4,7-8,12,19H,5-6,9H2/t12-/m0/s1
InChIKeyHMEMIOHQKXNXBV-LBPRGKRZSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine (CID 15604594) is 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine is Fc1ccc(N(c2ccc(Cl)cn2)[C@H]2CCNC2)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is HMEMIOHQKXNXBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14Cl2FN3/c16-10-1-4-15(20-8-10)21(12-5-6-19-9-12)11-2-3-14(18)13(17)7-11/h1-4,7-8,12,19H,5-6,9H2/t12-/m0/s1.
What are the key properties of 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine?
5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 326.20 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 15604594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).