[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine

C10H8ClFN4 — CID 62251681

IUPAC[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(5-8(7)12)10-14-4-3-9(15-10)16-13/h1-5H,13H2,(H,14,15,16)
InChIKeyTXNMTFPGNIPXGP-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.22
Rot. Bonds2

About [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine

[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine (PubChem CID 62251681) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine
PubChem CID62251681
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(5-8(7)12)10-14-4-3-9(15-10)16-13/h1-5H,13H2,(H,14,15,16)
InChIKeyTXNMTFPGNIPXGP-UHFFFAOYSA-N
XLogP2.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 204821
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CID 2735804
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CID 14999837
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CID 4882447
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CID 259157
CID 259157
CID 9585673
CID 9585673
CID 9635113
CID 9635113
CID 9657237
CID 9657237
CID 272524
CID 272524
CID 9612911
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CID 8098215
CID 8098215
CID 44531127
CID 44531127

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine (CID 62251681) is [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine is NNc1ccnc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is TXNMTFPGNIPXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-7-2-1-6(5-8(7)12)10-14-4-3-9(15-10)16-13/h1-5H,13H2,(H,14,15,16).
What are the key properties of [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine?
[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 238.65 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).